6-methoxy-2-oxo-N-pyridin-4-ylchromene-3-carboxamide

C16H12N2O4 — CID 3786468

IUPAC6-methoxy-2-oxo-N-pyridin-4-ylchromene-3-carboxamide
SMILESCOc1ccc2oc(=O)c(C(=O)Nc3ccncc3)cc2c1
InChIInChI=1S/C16H12N2O4/c1-21-12-2-3-14-10(8-12)9-13(16(20)22-14)15(19)18-11-4-6-17-7-5-11/h2-9H,1H3,(H,17,18,19)
InChIKeyUPJSMAWSKIUPEA-UHFFFAOYSA-N
MW296.28 g/mol
LogP2.45
Rot. Bonds3

About 6-methoxy-2-oxo-N-pyridin-4-ylchromene-3-carboxamide

6-methoxy-2-oxo-N-pyridin-4-ylchromene-3-carboxamide (PubChem CID 3786468) has the molecular formula C16H12N2O4 and a molecular weight of 296.28 g/mol. Its IUPAC name is 6-methoxy-2-oxo-N-pyridin-4-ylchromene-3-carboxamide.

Molecular Properties

Compound Name6-methoxy-2-oxo-N-pyridin-4-ylchromene-3-carboxamide
PubChem CID3786468
Molecular FormulaC16H12N2O4
Molecular Weight296.28 g/mol
Exact Mass296.08
IUPAC Name6-methoxy-2-oxo-N-pyridin-4-ylchromene-3-carboxamide
SMILESCOc1ccc2oc(=O)c(C(=O)Nc3ccncc3)cc2c1
InChIInChI=1S/C16H12N2O4/c1-21-12-2-3-14-10(8-12)9-13(16(20)22-14)15(19)18-11-4-6-17-7-5-11/h2-9H,1H3,(H,17,18,19)
InChIKeyUPJSMAWSKIUPEA-UHFFFAOYSA-N
XLogP2.45
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.28
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-methoxy-N-naphthalen-2-yl-2-oxochromene-3-carboxamide
CID 16645470
N-(1,3-benzodioxol-5-yl)-6-methoxy-2-oxochromene-3-carboxamide
CID 19207094
6-methoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-oxochromene-3-carboxamide
CID 19207124
N-(2,6-difluorophenyl)-6-methoxy-2-oxochromene-3-carboxamide
CID 4059771
propyl 4-[(6-methoxy-2-oxochromene-3-carbonyl)amino]benzoate
CID 19207105
6-methoxy-N-(4-methyl-1,3-thiazol-2-yl)-2-oxochromene-3-carboxamide
CID 4913043
N-(4-bromophenyl)-7-methoxy-2-oxochromene-3-carboxamide
CID 5262383
N-(2,5-dichlorophenyl)-6-methoxy-2-oxochromene-3-carboxamide
CID 1337843
2-imino-6-methoxy-N-(4-methoxyphenyl)chromene-3-carboxamide
CID 3245498
6-methoxy-2-oxo-N-(2-propan-2-ylphenyl)chromene-3-carboxamide
CID 19207085
6-methoxy-N-[2-(4-methoxyanilino)-1-methyl-3H-1,3-thiazol-4-yl]-2-oxochromene-3-carboxamide
CID 21176519
5-methoxy-N-(4-methoxyphenyl)-1-benzofuran-2-carboxamide
CID 51432206

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-oxo-N-pyridin-4-ylchromene-3-carboxamide?
The IUPAC name of 6-methoxy-2-oxo-N-pyridin-4-ylchromene-3-carboxamide (CID 3786468) is 6-methoxy-2-oxo-N-pyridin-4-ylchromene-3-carboxamide.
What is the SMILES notation for 6-methoxy-2-oxo-N-pyridin-4-ylchromene-3-carboxamide?
The canonical SMILES for 6-methoxy-2-oxo-N-pyridin-4-ylchromene-3-carboxamide is COc1ccc2oc(=O)c(C(=O)Nc3ccncc3)cc2c1.
What is the InChIKey of 6-methoxy-2-oxo-N-pyridin-4-ylchromene-3-carboxamide?
The InChIKey is UPJSMAWSKIUPEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O4/c1-21-12-2-3-14-10(8-12)9-13(16(20)22-14)15(19)18-11-4-6-17-7-5-11/h2-9H,1H3,(H,17,18,19).
What are the key properties of 6-methoxy-2-oxo-N-pyridin-4-ylchromene-3-carboxamide?
6-methoxy-2-oxo-N-pyridin-4-ylchromene-3-carboxamide has a molecular weight of 296.28 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-oxo-N-pyridin-4-ylchromene-3-carboxamide is sourced from PubChem (CID 3786468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).