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

C21H15N3O3 — CID 121165322

IUPAC2-oxo-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]chromene-3-carboxamide
SMILESO=C(NCc1ccnc(-c2ccncc2)c1)c1cc2ccccc2oc1=O
InChIInChI=1S/C21H15N3O3/c25-20(17-12-16-3-1-2-4-19(16)27-21(17)26)24-13-14-5-10-23-18(11-14)15-6-8-22-9-7-15/h1-12H,13H2,(H,24,25)
InChIKeyFPHOEFWMQNMRCZ-UHFFFAOYSA-N
MW357.37 g/mol
LogP3.18
Rot. Bonds4

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

2-oxo-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]chromene-3-carboxamide (PubChem CID 121165322) 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-4-pyridinyl)methyl]chromene-3-carboxamide.

Molecular Properties

Compound Name2-oxo-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]chromene-3-carboxamide
PubChem CID121165322
Molecular FormulaC21H15N3O3
Molecular Weight357.37 g/mol
Exact Mass357.11
IUPAC Name2-oxo-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]chromene-3-carboxamide
SMILESO=C(NCc1ccnc(-c2ccncc2)c1)c1cc2ccccc2oc1=O
InChIInChI=1S/C21H15N3O3/c25-20(17-12-16-3-1-2-4-19(16)27-21(17)26)24-13-14-5-10-23-18(11-14)15-6-8-22-9-7-15/h1-12H,13H2,(H,24,25)
InChIKeyFPHOEFWMQNMRCZ-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

2-oxo-N-[(2-pyridin-4-yl-3-pyridinyl)methyl]chromene-3-carboxamide
CID 91816022
2-oxo-N-[(6-phenylpyrimidin-4-yl)methyl]chromene-3-carboxamide
CID 122261785
N-[(2-pyridin-4-yl-4-pyridinyl)methyl]quinoline-2-carboxamide
CID 121165463
methyl 2-[(2-pyridin-4-yl-4-pyridinyl)methylcarbamoyl]benzoate
CID 121165433
N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]-2-oxochromene-3-carboxamide
CID 122262283
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
N-[(2-methoxy-3-pyridinyl)methyl]-2-oxochromene-3-carboxamide
CID 37486429
2,4-dimethyl-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]benzamide
CID 121165448
3-phenyl-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]-1H-pyrazole-5-carboxamide
CID 121165402
2-phenyl-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]-1,3-thiazole-4-carboxamide
CID 121165498
2-methylsulfanyl-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]pyridine-3-carboxamide
CID 121165300

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]chromene-3-carboxamide?
The IUPAC name of 2-oxo-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]chromene-3-carboxamide (CID 121165322) is 2-oxo-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]chromene-3-carboxamide.
What is the SMILES notation for 2-oxo-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]chromene-3-carboxamide?
The canonical SMILES for 2-oxo-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]chromene-3-carboxamide is O=C(NCc1ccnc(-c2ccncc2)c1)c1cc2ccccc2oc1=O.
What is the InChIKey of 2-oxo-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]chromene-3-carboxamide?
The InChIKey is FPHOEFWMQNMRCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N3O3/c25-20(17-12-16-3-1-2-4-19(16)27-21(17)26)24-13-14-5-10-23-18(11-14)15-6-8-22-9-7-15/h1-12H,13H2,(H,24,25).
What are the key properties of 2-oxo-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]chromene-3-carboxamide?
2-oxo-N-[(2-pyridin-4-yl-4-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-4-pyridinyl)methyl]chromene-3-carboxamide is sourced from PubChem (CID 121165322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).