6,7-dimethyl-4-oxo-N-(pyridin-4-ylmethyl)chromene-2-carboxamide

C18H16N2O3 — CID 4974370

IUPAC6,7-dimethyl-4-oxo-N-(pyridin-4-ylmethyl)chromene-2-carboxamide
SMILESCc1cc2oc(C(=O)NCc3ccncc3)cc(=O)c2cc1C
InChIInChI=1S/C18H16N2O3/c1-11-7-14-15(21)9-17(23-16(14)8-12(11)2)18(22)20-10-13-3-5-19-6-4-13/h3-9H,10H2,1-2H3,(H,20,22)
InChIKeySECKPKGYZJQQHT-UHFFFAOYSA-N
MW308.34 g/mol
LogP2.73
Rot. Bonds3

About 6,7-dimethyl-4-oxo-N-(pyridin-4-ylmethyl)chromene-2-carboxamide

6,7-dimethyl-4-oxo-N-(pyridin-4-ylmethyl)chromene-2-carboxamide (PubChem CID 4974370) has the molecular formula C18H16N2O3 and a molecular weight of 308.34 g/mol. Its IUPAC name is 6,7-dimethyl-4-oxo-N-(pyridin-4-ylmethyl)chromene-2-carboxamide.

Molecular Properties

Compound Name6,7-dimethyl-4-oxo-N-(pyridin-4-ylmethyl)chromene-2-carboxamide
PubChem CID4974370
Molecular FormulaC18H16N2O3
Molecular Weight308.34 g/mol
Exact Mass308.12
IUPAC Name6,7-dimethyl-4-oxo-N-(pyridin-4-ylmethyl)chromene-2-carboxamide
SMILESCc1cc2oc(C(=O)NCc3ccncc3)cc(=O)c2cc1C
InChIInChI=1S/C18H16N2O3/c1-11-7-14-15(21)9-17(23-16(14)8-12(11)2)18(22)20-10-13-3-5-19-6-4-13/h3-9H,10H2,1-2H3,(H,20,22)
InChIKeySECKPKGYZJQQHT-UHFFFAOYSA-N
XLogP2.73
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-6-chloro-7-methyl-4-oxochromene-2-carboxamide
CID 35141061
5-chloro-3,6-dimethyl-N-(pyridin-4-ylmethyl)-1-benzofuran-2-carboxamide
CID 852712
N-[(2S)-2-(dimethylamino)-2-phenylethyl]-6,7-dimethyl-4-oxochromene-2-carboxamide
CID 35575343
6,7-dimethyl-4-oxo-N-[2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)ethyl]chromene-2-carboxamide
CID 46963208
N-[[4-(dimethylamino)phenyl]methyl]-4-oxochromene-2-carboxamide
CID 17469485
N-[2-(azepan-1-yl)-2-thiophen-2-ylethyl]-6,7-dimethyl-4-oxochromene-2-carboxamide
CID 45154972
6,7-dimethyl-4-oxo-N-[(2S)-2-piperidin-1-yl-2-thiophen-2-ylethyl]chromene-2-carboxamide
CID 35574665
4-oxo-N-[(1-pyridin-4-yltriazol-4-yl)methyl]chromene-2-carboxamide
CID 121195822
ethane;pyridin-4-ylmethylurea
CID 144877282
5-bromo-3-methyl-N-(pyridin-4-ylmethyl)-1-benzofuran-2-carboxamide
CID 852717
4-oxo-N-[(2-thiophen-2-yl-4-pyridinyl)methyl]chromene-2-carboxamide
CID 91630333
6-chloro-7-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-4-oxochromene-2-carboxamide
CID 155942915

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethyl-4-oxo-N-(pyridin-4-ylmethyl)chromene-2-carboxamide?
The IUPAC name of 6,7-dimethyl-4-oxo-N-(pyridin-4-ylmethyl)chromene-2-carboxamide (CID 4974370) is 6,7-dimethyl-4-oxo-N-(pyridin-4-ylmethyl)chromene-2-carboxamide.
What is the SMILES notation for 6,7-dimethyl-4-oxo-N-(pyridin-4-ylmethyl)chromene-2-carboxamide?
The canonical SMILES for 6,7-dimethyl-4-oxo-N-(pyridin-4-ylmethyl)chromene-2-carboxamide is Cc1cc2oc(C(=O)NCc3ccncc3)cc(=O)c2cc1C.
What is the InChIKey of 6,7-dimethyl-4-oxo-N-(pyridin-4-ylmethyl)chromene-2-carboxamide?
The InChIKey is SECKPKGYZJQQHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3/c1-11-7-14-15(21)9-17(23-16(14)8-12(11)2)18(22)20-10-13-3-5-19-6-4-13/h3-9H,10H2,1-2H3,(H,20,22).
What are the key properties of 6,7-dimethyl-4-oxo-N-(pyridin-4-ylmethyl)chromene-2-carboxamide?
6,7-dimethyl-4-oxo-N-(pyridin-4-ylmethyl)chromene-2-carboxamide has a molecular weight of 308.34 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethyl-4-oxo-N-(pyridin-4-ylmethyl)chromene-2-carboxamide is sourced from PubChem (CID 4974370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).