4-(furan-2-yl)-2-methyl-5-oxo-N-phenyl-1,4-dihydrochromeno[4,3-b]pyridine-3-carboxamide

C24H18N2O4 — CID 139230054

IUPAC4-(furan-2-yl)-2-methyl-5-oxo-N-phenyl-1,4-dihydrochromeno[4,3-b]pyridine-3-carboxamide
SMILESCC1=C(C(=O)Nc2ccccc2)C(c2ccco2)c2c(c3ccccc3oc2=O)N1
InChIInChI=1S/C24H18N2O4/c1-14-19(23(27)26-15-8-3-2-4-9-15)20(18-12-7-13-29-18)21-22(25-14)16-10-5-6-11-17(16)30-24(21)28/h2-13,20,25H,1H3,(H,26,27)
InChIKeyVGAGRFOOLMRHSU-UHFFFAOYSA-N
MW398.42 g/mol
LogP4.86
Rot. Bonds3

About 4-(furan-2-yl)-2-methyl-5-oxo-N-phenyl-1,4-dihydrochromeno[4,3-b]pyridine-3-carboxamide

4-(furan-2-yl)-2-methyl-5-oxo-N-phenyl-1,4-dihydrochromeno[4,3-b]pyridine-3-carboxamide (PubChem CID 139230054) has the molecular formula C24H18N2O4 and a molecular weight of 398.42 g/mol. Its IUPAC name is 4-(furan-2-yl)-2-methyl-5-oxo-N-phenyl-1,4-dihydrochromeno[4,3-b]pyridine-3-carboxamide.

Molecular Properties

Compound Name4-(furan-2-yl)-2-methyl-5-oxo-N-phenyl-1,4-dihydrochromeno[4,3-b]pyridine-3-carboxamide
PubChem CID139230054
Molecular FormulaC24H18N2O4
Molecular Weight398.42 g/mol
Exact Mass398.13
IUPAC Name4-(furan-2-yl)-2-methyl-5-oxo-N-phenyl-1,4-dihydrochromeno[4,3-b]pyridine-3-carboxamide
SMILESCC1=C(C(=O)Nc2ccccc2)C(c2ccco2)c2c(c3ccccc3oc2=O)N1
InChIInChI=1S/C24H18N2O4/c1-14-19(23(27)26-15-8-3-2-4-9-15)20(18-12-7-13-29-18)21-22(25-14)16-10-5-6-11-17(16)30-24(21)28/h2-13,20,25H,1H3,(H,26,27)
InChIKeyVGAGRFOOLMRHSU-UHFFFAOYSA-N
XLogP4.86
TPSA84.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.42
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-(furan-2-yl)-2-methyl-5-oxo-N-phenyl-1,4-dihydrochromeno[4,3-b]pyridine-3-carboxamide with MolForge

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Related Compounds

ethyl 2-[[(4R)-3-cyano-4-(furan-2-yl)-6-methyl-5-(phenylcarbamoyl)-1,4-dihydropyridin-2-yl]sulfanyl]acetate
CID 1121521
5-cyano-6-[2-(2,6-dimethylanilino)-2-oxoethyl]sulfanyl-4-(furan-2-yl)-2-methyl-N-phenyl-1,4-dihydropyridine-3-carboxamide
CID 23804722
2,6-dimethyl-4-(4-oxo-2-phenylchromen-6-yl)-3-N,5-N-diphenyl-1,4-dihydropyridine-3,5-dicarboxamide
CID 10650657
5-cyano-6-[2-(2,4-dimethylphenyl)-2-oxoethyl]sulfanyl-4-(furan-2-yl)-2-methyl-N-phenyl-1,4-dihydropyridine-3-carboxamide
CID 15327260
ethyl 2-(4-bromophenyl)-5-oxo-4-phenyl-1,4-dihydrochromeno[4,3-b]pyridine-3-carboxylate
CID 122232573
5-cyano-4-(furan-2-yl)-6-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-2-methyl-N-phenyl-1,4-dihydropyridine-3-carboxamide
CID 2853346
ethyl 4-[[(4S)-4-(furan-2-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carbonyl]amino]benzoate
CID 51852431
methyl (4S)-4-(furan-2-yl)-2-hydroxy-5-oxo-3,4-dihydropyrano[3,2-c]chromene-2-carboxylate
CID 46914999
(4S)-6-[2-(3-bromophenyl)-2-oxoethyl]sulfanyl-5-cyano-4-(furan-2-yl)-2-methyl-N-phenyl-1,4-dihydropyridine-3-carboxamide
CID 1076773
4-(furan-2-yl)-5-methoxycarbonyl-2,6-dimethyl-1,4-dihydropyridine-3-carboxylic acid
CID 19856685
(4S)-5-cyano-4-(furan-2-yl)-2-methyl-6-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]sulfanyl-N-phenyl-1,4-dihydropyridine-3-carboxamide
CID 1314969
5-O-ethyl 3-O-methyl (4S)-4-(furan-2-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
CID 748387

Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-yl)-2-methyl-5-oxo-N-phenyl-1,4-dihydrochromeno[4,3-b]pyridine-3-carboxamide?
The IUPAC name of 4-(furan-2-yl)-2-methyl-5-oxo-N-phenyl-1,4-dihydrochromeno[4,3-b]pyridine-3-carboxamide (CID 139230054) is 4-(furan-2-yl)-2-methyl-5-oxo-N-phenyl-1,4-dihydrochromeno[4,3-b]pyridine-3-carboxamide.
What is the SMILES notation for 4-(furan-2-yl)-2-methyl-5-oxo-N-phenyl-1,4-dihydrochromeno[4,3-b]pyridine-3-carboxamide?
The canonical SMILES for 4-(furan-2-yl)-2-methyl-5-oxo-N-phenyl-1,4-dihydrochromeno[4,3-b]pyridine-3-carboxamide is CC1=C(C(=O)Nc2ccccc2)C(c2ccco2)c2c(c3ccccc3oc2=O)N1.
What is the InChIKey of 4-(furan-2-yl)-2-methyl-5-oxo-N-phenyl-1,4-dihydrochromeno[4,3-b]pyridine-3-carboxamide?
The InChIKey is VGAGRFOOLMRHSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N2O4/c1-14-19(23(27)26-15-8-3-2-4-9-15)20(18-12-7-13-29-18)21-22(25-14)16-10-5-6-11-17(16)30-24(21)28/h2-13,20,25H,1H3,(H,26,27).
What are the key properties of 4-(furan-2-yl)-2-methyl-5-oxo-N-phenyl-1,4-dihydrochromeno[4,3-b]pyridine-3-carboxamide?
4-(furan-2-yl)-2-methyl-5-oxo-N-phenyl-1,4-dihydrochromeno[4,3-b]pyridine-3-carboxamide has a molecular weight of 398.42 g/mol, XLogP of 4.86, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-yl)-2-methyl-5-oxo-N-phenyl-1,4-dihydrochromeno[4,3-b]pyridine-3-carboxamide is sourced from PubChem (CID 139230054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).