2-oxo-N-[(2-pyridin-4-yl-3-pyridinyl)methyl]chromene-3-carboxamide

C21H15N3O3 — CID 91816022

IUPAC2-oxo-N-[(2-pyridin-4-yl-3-pyridinyl)methyl]chromene-3-carboxamide
SMILESO=C(NCc1cccnc1-c1ccncc1)c1cc2ccccc2oc1=O
InChIInChI=1S/C21H15N3O3/c25-20(17-12-15-4-1-2-6-18(15)27-21(17)26)24-13-16-5-3-9-23-19(16)14-7-10-22-11-8-14/h1-12H,13H2,(H,24,25)
InChIKeyXYFHSKNHHOXEAQ-UHFFFAOYSA-N
MW357.37 g/mol
LogP3.18
Rot. Bonds4

About 2-oxo-N-[(2-pyridin-4-yl-3-pyridinyl)methyl]chromene-3-carboxamide

2-oxo-N-[(2-pyridin-4-yl-3-pyridinyl)methyl]chromene-3-carboxamide (PubChem CID 91816022) has the molecular formula C21H15N3O3 and a molecular weight of 357.37 g/mol. Its IUPAC name is 2-oxo-N-[(2-pyridin-4-yl-3-pyridinyl)methyl]chromene-3-carboxamide.

Molecular Properties

Compound Name2-oxo-N-[(2-pyridin-4-yl-3-pyridinyl)methyl]chromene-3-carboxamide
PubChem CID91816022
Molecular FormulaC21H15N3O3
Molecular Weight357.37 g/mol
Exact Mass357.11
IUPAC Name2-oxo-N-[(2-pyridin-4-yl-3-pyridinyl)methyl]chromene-3-carboxamide
SMILESO=C(NCc1cccnc1-c1ccncc1)c1cc2ccccc2oc1=O
InChIInChI=1S/C21H15N3O3/c25-20(17-12-15-4-1-2-6-18(15)27-21(17)26)24-13-16-5-3-9-23-19(16)14-7-10-22-11-8-14/h1-12H,13H2,(H,24,25)
InChIKeyXYFHSKNHHOXEAQ-UHFFFAOYSA-N
XLogP3.18
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.37
LogP ≤ 53.18
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

N-[(2-methoxy-3-pyridinyl)methyl]-2-oxochromene-3-carboxamide
CID 37486429
2-oxo-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]chromene-3-carboxamide
CID 121165322
N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-1-benzofuran-2-carboxamide
CID 122275231
N-[4-[(2-oxochromene-3-carbonyl)amino]phenyl]pyridine-2-carboxamide
CID 1442136
2-oxo-N-(quinolin-2-ylmethyl)chromene-3-carboxamide
CID 110745561
2,2-diphenyl-N-[(2-pyridin-4-yl-3-pyridinyl)methyl]acetamide
CID 91816035
2-oxo-N-[(6-phenylpyrimidin-4-yl)methyl]chromene-3-carboxamide
CID 122261785
N-(1,3-benzodioxol-5-ylmethyl)-2-oxochromene-3-carboxamide
CID 775794
2-oxo-N-[(4-pyrazol-1-ylphenyl)methyl]chromene-3-carboxamide
CID 17354240
2-oxo-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]chromene-3-carboxamide
CID 18121330
N-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]-2-oxochromene-3-carboxamide
CID 56786046
2-oxo-N-[(4-propoxyphenyl)methyl]chromene-3-carboxamide
CID 110793766

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-[(2-pyridin-4-yl-3-pyridinyl)methyl]chromene-3-carboxamide?
The IUPAC name of 2-oxo-N-[(2-pyridin-4-yl-3-pyridinyl)methyl]chromene-3-carboxamide (CID 91816022) is 2-oxo-N-[(2-pyridin-4-yl-3-pyridinyl)methyl]chromene-3-carboxamide.
What is the SMILES notation for 2-oxo-N-[(2-pyridin-4-yl-3-pyridinyl)methyl]chromene-3-carboxamide?
The canonical SMILES for 2-oxo-N-[(2-pyridin-4-yl-3-pyridinyl)methyl]chromene-3-carboxamide is O=C(NCc1cccnc1-c1ccncc1)c1cc2ccccc2oc1=O.
What is the InChIKey of 2-oxo-N-[(2-pyridin-4-yl-3-pyridinyl)methyl]chromene-3-carboxamide?
The InChIKey is XYFHSKNHHOXEAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N3O3/c25-20(17-12-15-4-1-2-6-18(15)27-21(17)26)24-13-16-5-3-9-23-19(16)14-7-10-22-11-8-14/h1-12H,13H2,(H,24,25).
What are the key properties of 2-oxo-N-[(2-pyridin-4-yl-3-pyridinyl)methyl]chromene-3-carboxamide?
2-oxo-N-[(2-pyridin-4-yl-3-pyridinyl)methyl]chromene-3-carboxamide has a molecular weight of 357.37 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-[(2-pyridin-4-yl-3-pyridinyl)methyl]chromene-3-carboxamide is sourced from PubChem (CID 91816022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).