2-methyl-N-[1-[(prop-2-enoylamino)methyl]-2-pyridin-3-yl-pyrrol-3-yl]pyridine-3-carboxamide

Systemtic Name: 2-methyl-N-[1-[(prop-2-enoylamino)methyl]-2-pyridin-3-yl-pyrrol-3-yl]pyridine-3-carboxamide Openeye Name: 2-methyl-N-[1-[(prop-2-enoylamino)methyl]-2-(3-pyridyl)pyrrol-3-yl]pyridine-3-carboxamide CAS Name: 2-methyl-N-[1-[(1-oxoprop-2-enylamino)methyl]-2-(3-pyridinyl)-3-pyrrolyl]-3-pyridinecarboxamide IUPAC Name: 2-methyl-N-[1-[(prop-2-enoylamino)methyl]-2-pyridin-3-ylpyrrol-3-yl]pyridine-3-carboxamide Traditional Name: N-[1-(acrylamidomethyl)-2-(3-pyridyl)pyrrol-3-yl]-2-methyl-nicotinamide Formula: C20H19N5O2 MolecularWeight: 361.39716

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=N1)C(=O)NC2=C(N(C=C2)CNC(=O)C=C)C3=CN=CC=C3

Isomeric SMILES

CC1=C(C=CC=N1)C(=O)NC2=C(N(C=C2)CNC(=O)C=C)C3=CN=CC=C3

InChI

InChI=1S/C20H19N5O2/c1-3-18(26)23-13-25-11-8-17(19(25)15-6-4-9-21-12-15)24-20(27)16-7-5-10-22-14(16)2/h3-12H,1,13H2,2H3,(H,23,26)(H,24,27)