N-[(4-hydroxy-2-oxochromen-3-yl)methyl]pyridine-3-carboxamide

C16H12N2O4 — CID 54703150

IUPACN-[(4-hydroxy-2-oxochromen-3-yl)methyl]pyridine-3-carboxamide
SMILESO=C(NCc1c(O)c2ccccc2oc1=O)c1cccnc1
InChIInChI=1S/C16H12N2O4/c19-14-11-5-1-2-6-13(11)22-16(21)12(14)9-18-15(20)10-4-3-7-17-8-10/h1-8,19H,9H2,(H,18,20)
InChIKeyQFBYIHZVQQEMJE-UHFFFAOYSA-N
MW296.28 g/mol
LogP1.82
Rot. Bonds3

About N-[(4-hydroxy-2-oxochromen-3-yl)methyl]pyridine-3-carboxamide

N-[(4-hydroxy-2-oxochromen-3-yl)methyl]pyridine-3-carboxamide (PubChem CID 54703150) has the molecular formula C16H12N2O4 and a molecular weight of 296.28 g/mol. Its IUPAC name is N-[(4-hydroxy-2-oxochromen-3-yl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-hydroxy-2-oxochromen-3-yl)methyl]pyridine-3-carboxamide
PubChem CID54703150
Molecular FormulaC16H12N2O4
Molecular Weight296.28 g/mol
Exact Mass296.08
IUPAC NameN-[(4-hydroxy-2-oxochromen-3-yl)methyl]pyridine-3-carboxamide
SMILESO=C(NCc1c(O)c2ccccc2oc1=O)c1cccnc1
InChIInChI=1S/C16H12N2O4/c19-14-11-5-1-2-6-13(11)22-16(21)12(14)9-18-15(20)10-4-3-7-17-8-10/h1-8,19H,9H2,(H,18,20)
InChIKeyQFBYIHZVQQEMJE-UHFFFAOYSA-N
XLogP1.82
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.28
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-benzylpyridine-3-carboxamide chloride
CID 21204170
N-(pyridin-3-ylmethyl)pyridine-3-carboxamide;hydrochloride
CID 110755498
4-hydroxy-3-[3-(4-hydroxy-2-oxochromen-3-yl)-2-oxopropyl]chromen-2-one
CID 54677997
N-(6-benzamidohexyl)-4-hydroxy-2-oxochromene-3-carboxamide
CID 54706041
N-[2-(1-benzofuran-3-yl)ethyl]pyridine-3-carboxamide
CID 110872276
N-[2-[[N'-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]carbamimidoyl]amino]ethyl]pyridine-3-carboxamide;hydroiodide
CID 111603204
N-(furan-2-ylmethyl)pyridine-3-carboxamide
CID 1087305
N-[(4-carbamoylphenyl)methyl]pyridine-3-carboxamide
CID 108766189
N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]pyridine-3-carboxamide
CID 110714802
N-[(5-phenyl-1,3-oxazol-2-yl)methyl]pyridine-3-carboxamide
CID 24957460
N-[[4-(2-aminoethyl)phenyl]methyl]pyridine-3-carboxamide
CID 62502833
N-[(5-isoquinolin-1-yl-1,3,4-oxadiazol-2-yl)methyl]pyridine-3-carboxamide
CID 92576803

Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxy-2-oxochromen-3-yl)methyl]pyridine-3-carboxamide?
The IUPAC name of N-[(4-hydroxy-2-oxochromen-3-yl)methyl]pyridine-3-carboxamide (CID 54703150) is N-[(4-hydroxy-2-oxochromen-3-yl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[(4-hydroxy-2-oxochromen-3-yl)methyl]pyridine-3-carboxamide?
The canonical SMILES for N-[(4-hydroxy-2-oxochromen-3-yl)methyl]pyridine-3-carboxamide is O=C(NCc1c(O)c2ccccc2oc1=O)c1cccnc1.
What is the InChIKey of N-[(4-hydroxy-2-oxochromen-3-yl)methyl]pyridine-3-carboxamide?
The InChIKey is QFBYIHZVQQEMJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O4/c19-14-11-5-1-2-6-13(11)22-16(21)12(14)9-18-15(20)10-4-3-7-17-8-10/h1-8,19H,9H2,(H,18,20).
What are the key properties of N-[(4-hydroxy-2-oxochromen-3-yl)methyl]pyridine-3-carboxamide?
N-[(4-hydroxy-2-oxochromen-3-yl)methyl]pyridine-3-carboxamide has a molecular weight of 296.28 g/mol, XLogP of 1.82, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxy-2-oxochromen-3-yl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 54703150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).