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

C19H16N4O3 — CID 177416539

IUPAC1-[(E)-(2-amino-6-methyl-4-oxochromen-3-yl)methylideneamino]-4,6-dimethyl-2-oxopyridine-3-carbonitrile
SMILESCc1ccc2oc(N)c(/C=N/n3c(C)cc(C)c(C#N)c3=O)c(=O)c2c1
InChIInChI=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+
InChIKeyYFKLHXWXTHTGQF-LSFURLLWSA-N
MW348.36 g/mol
LogP2.22
Rot. Bonds2

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 Name1-[(E)-(2-amino-6-methyl-4-oxochromen-3-yl)methylideneamino]-4,6-dimethyl-2-oxopyridine-3-carbonitrile
PubChem CID177416539
Molecular FormulaC19H16N4O3
Molecular Weight348.36 g/mol
Exact Mass348.12
IUPAC Name1-[(E)-(2-amino-6-methyl-4-oxochromen-3-yl)methylideneamino]-4,6-dimethyl-2-oxopyridine-3-carbonitrile
SMILESCc1ccc2oc(N)c(/C=N/n3c(C)cc(C)c(C#N)c3=O)c(=O)c2c1
InChIInChI=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+
InChIKeyYFKLHXWXTHTGQF-LSFURLLWSA-N
XLogP2.22
TPSA114.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.36
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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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).