2-(4-fluorophenyl)-N-[(E)-(6-methyl-4-oxochromen-3-yl)methylideneamino]-6-phenylpyridine-4-carboxamide

C29H20FN3O3 — CID 44725052

IUPAC2-(4-fluorophenyl)-N-[(E)-(6-methyl-4-oxochromen-3-yl)methylideneamino]-6-phenylpyridine-4-carboxamide
SMILESCc1ccc2occ(/C=N/NC(=O)c3cc(-c4ccccc4)nc(-c4ccc(F)cc4)c3)c(=O)c2c1
InChIInChI=1S/C29H20FN3O3/c1-18-7-12-27-24(13-18)28(34)22(17-36-27)16-31-33-29(35)21-14-25(19-5-3-2-4-6-19)32-26(15-21)20-8-10-23(30)11-9-20/h2-17H,1H3,(H,33,35)/b31-16+
InChIKeyGXXJHYBHJMUIMH-WCMJOSRZSA-N
MW477.50 g/mol
LogP5.73
Rot. Bonds5

About 2-(4-fluorophenyl)-N-[(E)-(6-methyl-4-oxochromen-3-yl)methylideneamino]-6-phenylpyridine-4-carboxamide

2-(4-fluorophenyl)-N-[(E)-(6-methyl-4-oxochromen-3-yl)methylideneamino]-6-phenylpyridine-4-carboxamide (PubChem CID 44725052) has the molecular formula C29H20FN3O3 and a molecular weight of 477.50 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-[(E)-(6-methyl-4-oxochromen-3-yl)methylideneamino]-6-phenylpyridine-4-carboxamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-[(E)-(6-methyl-4-oxochromen-3-yl)methylideneamino]-6-phenylpyridine-4-carboxamide
PubChem CID44725052
Molecular FormulaC29H20FN3O3
Molecular Weight477.50 g/mol
Exact Mass477.15
IUPAC Name2-(4-fluorophenyl)-N-[(E)-(6-methyl-4-oxochromen-3-yl)methylideneamino]-6-phenylpyridine-4-carboxamide
SMILESCc1ccc2occ(/C=N/NC(=O)c3cc(-c4ccccc4)nc(-c4ccc(F)cc4)c3)c(=O)c2c1
InChIInChI=1S/C29H20FN3O3/c1-18-7-12-27-24(13-18)28(34)22(17-36-27)16-31-33-29(35)21-14-25(19-5-3-2-4-6-19)32-26(15-21)20-8-10-23(30)11-9-20/h2-17H,1H3,(H,33,35)/b31-16+
InChIKeyGXXJHYBHJMUIMH-WCMJOSRZSA-N
XLogP5.73
TPSA84.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.50
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3,5-dihydroxy-N-[(Z)-(6-methyl-4-oxochromen-3-yl)methylideneamino]benzamide
CID 6011150
N-[(E)-benzylideneamino]-2,6-bis(4-methylphenyl)pyridine-4-carboxamide
CID 44721589
N-[(E)-(6-chloro-7-methyl-4-oxochromen-3-yl)methylideneamino]-3-phenyl-1H-pyrazole-5-carboxamide
CID 44723132
4-methyl-N-[(Z)-(6-methyl-4-oxochromen-3-yl)methylideneamino]thiadiazole-5-carboxamide
CID 44724851
N'-[(E)-(6-fluoro-4-oxochromen-3-yl)methylideneamino]-N-(4-methylphenyl)butanediamide
CID 6899506
[1-[2-[(6-methyl-4-oxochromen-3-yl)methylidene]hydrazinyl]-4-methylsulfanyl-1-oxobutan-2-yl]azanium
CID 4920719
4-[(4-methylphenyl)methoxy]-N-[(4-oxochromen-3-yl)methylideneamino]benzamide
CID 91944841
N-[(Z)-(6-chloro-4-oxochromen-3-yl)methylideneamino]pyridine-4-carboxamide
CID 6256828
(E)-3-(6-methyl-4-oxochromen-3-yl)-N-(4-phenyl-1,3-thiazol-2-yl)prop-2-enamide
CID 108747679
3,4,5-trimethoxy-N-[(E)-(6-methoxy-4-oxochromen-3-yl)methylideneamino]benzamide;hydrate
CID 139086784
3-hydroxy-N-[(E)-(6-methoxy-4-oxochromen-3-yl)methylideneamino]benzamide
CID 155490492
3-nitro-N-[(4-oxochromen-3-yl)methylideneamino]benzamide
CID 1085155

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-[(E)-(6-methyl-4-oxochromen-3-yl)methylideneamino]-6-phenylpyridine-4-carboxamide?
The IUPAC name of 2-(4-fluorophenyl)-N-[(E)-(6-methyl-4-oxochromen-3-yl)methylideneamino]-6-phenylpyridine-4-carboxamide (CID 44725052) is 2-(4-fluorophenyl)-N-[(E)-(6-methyl-4-oxochromen-3-yl)methylideneamino]-6-phenylpyridine-4-carboxamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-[(E)-(6-methyl-4-oxochromen-3-yl)methylideneamino]-6-phenylpyridine-4-carboxamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-[(E)-(6-methyl-4-oxochromen-3-yl)methylideneamino]-6-phenylpyridine-4-carboxamide is Cc1ccc2occ(/C=N/NC(=O)c3cc(-c4ccccc4)nc(-c4ccc(F)cc4)c3)c(=O)c2c1.
What is the InChIKey of 2-(4-fluorophenyl)-N-[(E)-(6-methyl-4-oxochromen-3-yl)methylideneamino]-6-phenylpyridine-4-carboxamide?
The InChIKey is GXXJHYBHJMUIMH-WCMJOSRZSA-N. The full InChI is InChI=1S/C29H20FN3O3/c1-18-7-12-27-24(13-18)28(34)22(17-36-27)16-31-33-29(35)21-14-25(19-5-3-2-4-6-19)32-26(15-21)20-8-10-23(30)11-9-20/h2-17H,1H3,(H,33,35)/b31-16+.
What are the key properties of 2-(4-fluorophenyl)-N-[(E)-(6-methyl-4-oxochromen-3-yl)methylideneamino]-6-phenylpyridine-4-carboxamide?
2-(4-fluorophenyl)-N-[(E)-(6-methyl-4-oxochromen-3-yl)methylideneamino]-6-phenylpyridine-4-carboxamide has a molecular weight of 477.50 g/mol, XLogP of 5.73, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-[(E)-(6-methyl-4-oxochromen-3-yl)methylideneamino]-6-phenylpyridine-4-carboxamide is sourced from PubChem (CID 44725052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).