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

C17H14N2O4 — CID 651868

IUPAC8-methoxy-N-(6-methyl-2-pyridinyl)-2-oxochromene-3-carboxamide
SMILESCOc1cccc2cc(C(=O)Nc3cccc(C)n3)c(=O)oc12
InChIInChI=1S/C17H14N2O4/c1-10-5-3-8-14(18-10)19-16(20)12-9-11-6-4-7-13(22-2)15(11)23-17(12)21/h3-9H,1-2H3,(H,18,19,20)
InChIKeyMTOLMGWWKLVWAL-UHFFFAOYSA-N
MW310.31 g/mol
LogP2.76
Rot. Bonds3

About 8-methoxy-N-(6-methyl-2-pyridinyl)-2-oxochromene-3-carboxamide

8-methoxy-N-(6-methyl-2-pyridinyl)-2-oxochromene-3-carboxamide (PubChem CID 651868) has the molecular formula C17H14N2O4 and a molecular weight of 310.31 g/mol. Its IUPAC name is 8-methoxy-N-(6-methyl-2-pyridinyl)-2-oxochromene-3-carboxamide.

Molecular Properties

Compound Name8-methoxy-N-(6-methyl-2-pyridinyl)-2-oxochromene-3-carboxamide
PubChem CID651868
Molecular FormulaC17H14N2O4
Molecular Weight310.31 g/mol
Exact Mass310.10
IUPAC Name8-methoxy-N-(6-methyl-2-pyridinyl)-2-oxochromene-3-carboxamide
SMILESCOc1cccc2cc(C(=O)Nc3cccc(C)n3)c(=O)oc12
InChIInChI=1S/C17H14N2O4/c1-10-5-3-8-14(18-10)19-16(20)12-9-11-6-4-7-13(22-2)15(11)23-17(12)21/h3-9H,1-2H3,(H,18,19,20)
InChIKeyMTOLMGWWKLVWAL-UHFFFAOYSA-N
XLogP2.76
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.31
LogP ≤ 52.76
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

(E)-2-cyano-N-(6-methylpyridin-2-yl)-3-(2-propoxyphenyl)prop-2-enamide
CID 1587838
8-methoxy-2-oxo-N-(pyridin-2-ylmethyl)-2H-chromene-3-carboxamide
CID 753170
3-Benzo[1,3]dioxol-5-yl-N-(6-methyl-pyridin-2-yl)-acrylamide
CID 785883
N-(3-methylpyridin-2-yl)-2-oxo-2H-chromene-3-carboxamide
CID 691567
N-(4-methylpyridin-2-yl)-2-oxochromene-3-carboxamide
CID 1523620
N-[4,6-bis(2,3-dimethoxyphenyl)-2-pyridinyl]acetamide
CID 137637685
8-Methoxy-2-oxo-2H-chromene-3-carboxylic acid (2-morpholin-4-yl-pyridin-3-yl)-amide
CID 650281
8-Methoxy-3-(4-pyridin-2-ylpiperazine-1-carbonyl)chromen-2-one
CID 4964119
N-(5-methylpyridin-2-yl)-2-oxo-2H-chromene-3-carboxamide
CID 1246522
N-(5-bromo-2-pyridinyl)-8-methoxy-2H-chromene-3-carboxamide
CID 171350520
7-(3-phenylmethoxyphenyl)-1H-1,8-naphthyridin-2-one
CID 172434607
N-(6-methylpyridin-2-yl)-2-oxo-2H-chromene-3-carboxamide
CID 684612

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-N-(6-methyl-2-pyridinyl)-2-oxochromene-3-carboxamide?
The IUPAC name of 8-methoxy-N-(6-methyl-2-pyridinyl)-2-oxochromene-3-carboxamide (CID 651868) is 8-methoxy-N-(6-methyl-2-pyridinyl)-2-oxochromene-3-carboxamide.
What is the SMILES notation for 8-methoxy-N-(6-methyl-2-pyridinyl)-2-oxochromene-3-carboxamide?
The canonical SMILES for 8-methoxy-N-(6-methyl-2-pyridinyl)-2-oxochromene-3-carboxamide is COc1cccc2cc(C(=O)Nc3cccc(C)n3)c(=O)oc12.
What is the InChIKey of 8-methoxy-N-(6-methyl-2-pyridinyl)-2-oxochromene-3-carboxamide?
The InChIKey is MTOLMGWWKLVWAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O4/c1-10-5-3-8-14(18-10)19-16(20)12-9-11-6-4-7-13(22-2)15(11)23-17(12)21/h3-9H,1-2H3,(H,18,19,20).
What are the key properties of 8-methoxy-N-(6-methyl-2-pyridinyl)-2-oxochromene-3-carboxamide?
8-methoxy-N-(6-methyl-2-pyridinyl)-2-oxochromene-3-carboxamide has a molecular weight of 310.31 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-N-(6-methyl-2-pyridinyl)-2-oxochromene-3-carboxamide is sourced from PubChem (CID 651868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).