N-(2,6-dimethylphenyl)pyridine-3-carboxamide hydrate

Systemtic Name: N-(2,6-dimethylphenyl)pyridine-3-carboxamide hydrate Openeye Name: N-(2,6-dimethylphenyl)pyridine-3-carboxamide hydrate CAS Name: N-(2,6-dimethylphenyl)-3-pyridinecarboxamide hydrate IUPAC Name: N-(2,6-dimethylphenyl)pyridine-3-carboxamide hydrate Traditional Name: N-(2,6-dimethylphenyl)nicotinamide hydrate Formula: C14H16N2O2 MolecularWeight: 244.28904

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)C2=CN=CC=C2.O

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)C2=CN=CC=C2.O

InChI

InChI=1S/C14H14N2O.H2O/c1-10-5-3-6-11(2)13(10)16-14(17)12-7-4-8-15-9-12;/h3-9H,1-2H3,(H,16,17);1H2