1-[(E)-(2-amino-6-methyl-4-oxochromen-3-yl)methylideneamino]-4,6-dimethyl-2-oxopyridine-3-carbonitrile

C19H16N4O3 — CID 177416539

About 1-[(E)-(2-amino-6-methyl-4-oxochromen-3-yl)methylideneamino]-4,6-dimethyl-2-oxopyridine-3-carbonitrile

1-[(E)-(2-amino-6-methyl-4-oxochromen-3-yl)methylideneamino]-4,6-dimethyl-2-oxopyridine-3-carbonitrile (PubChem CID 177416539) has the molecular formula C19H16N4O3 and a molecular weight of 348.36 g/mol. Its IUPAC name is 1-[(E)-(2-amino-6-methyl-4-oxochromen-3-yl)methylideneamino]-4,6-dimethyl-2-oxopyridine-3-carbonitrile.

Molecular Properties

• Compound Name: 1-[(E)-(2-amino-6-methyl-4-oxochromen-3-yl)methylideneamino]-4,6-dimethyl-2-oxopyridine-3-carbonitrile
• PubChem CID: 177416539
• Molecular Formula: C19H16N4O3
• Molecular Weight: 348.36 g/mol
• Exact Mass: 348.12
• IUPAC Name: 1-[(E)-(2-amino-6-methyl-4-oxochromen-3-yl)methylideneamino]-4,6-dimethyl-2-oxopyridine-3-carbonitrile
• SMILES: Cc1ccc2oc(N)c(/C=N/n3c(C)cc(C)c(C#N)c3=O)c(=O)c2c1
• InChI: InChI=1S/C19H16N4O3/c1-10-4-5-16-13(6-10)17(24)15(18(21)26-16)9-22-23-12(3)7-11(2)14(8-20)19(23)25/h4-7,9H,21H2,1-3H3/b22-9+
• InChIKey: YFKLHXWXTHTGQF-LSFURLLWSA-N
• XLogP: 2.22
• TPSA: 114.38 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 2
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	348.36
LogP ≤ 5	2.22
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-(2-amino-6-methyl-4-oxochromen-3-yl)methylideneamino]-4,6-dimethyl-2-oxopyridine-3-carbonitrile?

The IUPAC name of 1-[(E)-(2-amino-6-methyl-4-oxochromen-3-yl)methylideneamino]-4,6-dimethyl-2-oxopyridine-3-carbonitrile (CID 177416539) is 1-[(E)-(2-amino-6-methyl-4-oxochromen-3-yl)methylideneamino]-4,6-dimethyl-2-oxopyridine-3-carbonitrile.

What is the SMILES notation for 1-[(E)-(2-amino-6-methyl-4-oxochromen-3-yl)methylideneamino]-4,6-dimethyl-2-oxopyridine-3-carbonitrile?

The canonical SMILES for 1-[(E)-(2-amino-6-methyl-4-oxochromen-3-yl)methylideneamino]-4,6-dimethyl-2-oxopyridine-3-carbonitrile is Cc1ccc2oc(N)c(/C=N/n3c(C)cc(C)c(C#N)c3=O)c(=O)c2c1.

What is the InChIKey of 1-[(E)-(2-amino-6-methyl-4-oxochromen-3-yl)methylideneamino]-4,6-dimethyl-2-oxopyridine-3-carbonitrile?

The InChIKey is YFKLHXWXTHTGQF-LSFURLLWSA-N. The full InChI is InChI=1S/C19H16N4O3/c1-10-4-5-16-13(6-10)17(24)15(18(21)26-16)9-22-23-12(3)7-11(2)14(8-20)19(23)25/h4-7,9H,21H2,1-3H3/b22-9+.

What are the key properties of 1-[(E)-(2-amino-6-methyl-4-oxochromen-3-yl)methylideneamino]-4,6-dimethyl-2-oxopyridine-3-carbonitrile?

1-[(E)-(2-amino-6-methyl-4-oxochromen-3-yl)methylideneamino]-4,6-dimethyl-2-oxopyridine-3-carbonitrile has a molecular weight of 348.36 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(E)-(2-amino-6-methyl-4-oxochromen-3-yl)methylideneamino]-4,6-dimethyl-2-oxopyridine-3-carbonitrile is sourced from PubChem (CID 177416539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).