N-(6-methyl-2-pyridinyl)-2-oxochromene-3-carboxamide

C16H12N2O3 — CID 684612

IUPACN-(6-methyl-2-pyridinyl)-2-oxochromene-3-carboxamide
SMILESCc1cccc(NC(=O)c2cc3ccccc3oc2=O)n1
InChIInChI=1S/C16H12N2O3/c1-10-5-4-8-14(17-10)18-15(19)12-9-11-6-2-3-7-13(11)21-16(12)20/h2-9H,1H3,(H,17,18,19)
InChIKeyYXBFSDMSVUQRJO-UHFFFAOYSA-N
MW280.28 g/mol
LogP2.75
Rot. Bonds2

About N-(6-methyl-2-pyridinyl)-2-oxochromene-3-carboxamide

N-(6-methyl-2-pyridinyl)-2-oxochromene-3-carboxamide (PubChem CID 684612) has the molecular formula C16H12N2O3 and a molecular weight of 280.28 g/mol. Its IUPAC name is N-(6-methyl-2-pyridinyl)-2-oxochromene-3-carboxamide.

Molecular Properties

Compound NameN-(6-methyl-2-pyridinyl)-2-oxochromene-3-carboxamide
PubChem CID684612
Molecular FormulaC16H12N2O3
Molecular Weight280.28 g/mol
Exact Mass280.08
IUPAC NameN-(6-methyl-2-pyridinyl)-2-oxochromene-3-carboxamide
SMILESCc1cccc(NC(=O)c2cc3ccccc3oc2=O)n1
InChIInChI=1S/C16H12N2O3/c1-10-5-4-8-14(17-10)18-15(19)12-9-11-6-2-3-7-13(11)21-16(12)20/h2-9H,1H3,(H,17,18,19)
InChIKeyYXBFSDMSVUQRJO-UHFFFAOYSA-N
XLogP2.75
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-2-cyano-N-(6-methylpyridin-2-yl)-3-(2-propoxyphenyl)prop-2-enamide
CID 1587838
(2E)-2-cyano-3-(4-methoxyphenyl)-N-(6-methylpyridin-2-yl)prop-2-enamide
CID 5548035
N-(5-oxo-2-propyl-5H-chromeno[3,4-c]pyridin-4-yl)acetamide
CID 614608
3-(4-(pyridin-2-yl)piperazine-1-carbonyl)-2H-chromen-2-one
CID 773687
N-(5-bromo-6-methyl-2-pyridinyl)-3-(2-oxo-1-benzopyran-3-yl)benzamide
CID 1258911
N-(2-butyl-5-oxochromeno[3,4-c]pyridin-4-yl)propanamide
CID 2059938
8-methoxy-N-(6-methylpyridin-2-yl)-2-oxo-2H-chromene-3-carboxamide
CID 651868
7-(diethylamino)-2-oxo-N-(pyridin-2-yl)-2H-chromene-3-carboxamide
CID 658314
N-(3-methylpyridin-2-yl)-2-oxo-2H-chromene-3-carboxamide
CID 691567
2-(2-methylphenoxy)-N-(6-methylpyridin-2-yl)acetamide
CID 795871
N-(2-Isopentyl-5-oxo-5H-chromeno[3,4-C]pyridin-4-YL)acetamide
CID 977348
2-methoxy-N-{6-[(2-methoxybenzoyl)amino]-2-pyridinyl}benzamide
CID 1019237

Frequently Asked Questions

What is the IUPAC name of N-(6-methyl-2-pyridinyl)-2-oxochromene-3-carboxamide?
The IUPAC name of N-(6-methyl-2-pyridinyl)-2-oxochromene-3-carboxamide (CID 684612) is N-(6-methyl-2-pyridinyl)-2-oxochromene-3-carboxamide.
What is the SMILES notation for N-(6-methyl-2-pyridinyl)-2-oxochromene-3-carboxamide?
The canonical SMILES for N-(6-methyl-2-pyridinyl)-2-oxochromene-3-carboxamide is Cc1cccc(NC(=O)c2cc3ccccc3oc2=O)n1.
What is the InChIKey of N-(6-methyl-2-pyridinyl)-2-oxochromene-3-carboxamide?
The InChIKey is YXBFSDMSVUQRJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O3/c1-10-5-4-8-14(17-10)18-15(19)12-9-11-6-2-3-7-13(11)21-16(12)20/h2-9H,1H3,(H,17,18,19).
What are the key properties of N-(6-methyl-2-pyridinyl)-2-oxochromene-3-carboxamide?
N-(6-methyl-2-pyridinyl)-2-oxochromene-3-carboxamide has a molecular weight of 280.28 g/mol, XLogP of 2.75, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methyl-2-pyridinyl)-2-oxochromene-3-carboxamide is sourced from PubChem (CID 684612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).