N-(4,6-dimethyl-2-pyridinyl)-4-oxochromene-2-carboxamide

C17H14N2O3 — CID 22105775

IUPACN-(4,6-dimethyl-2-pyridinyl)-4-oxochromene-2-carboxamide
SMILESCc1cc(C)nc(NC(=O)c2cc(=O)c3ccccc3o2)c1
InChIInChI=1S/C17H14N2O3/c1-10-7-11(2)18-16(8-10)19-17(21)15-9-13(20)12-5-3-4-6-14(12)22-15/h3-9H,1-2H3,(H,18,19,21)
InChIKeyCXVCMRBYLKBHIV-UHFFFAOYSA-N
MW294.31 g/mol
LogP3.06
Rot. Bonds2

About N-(4,6-dimethyl-2-pyridinyl)-4-oxochromene-2-carboxamide

N-(4,6-dimethyl-2-pyridinyl)-4-oxochromene-2-carboxamide (PubChem CID 22105775) has the molecular formula C17H14N2O3 and a molecular weight of 294.31 g/mol. Its IUPAC name is N-(4,6-dimethyl-2-pyridinyl)-4-oxochromene-2-carboxamide.

Molecular Properties

Compound NameN-(4,6-dimethyl-2-pyridinyl)-4-oxochromene-2-carboxamide
PubChem CID22105775
Molecular FormulaC17H14N2O3
Molecular Weight294.31 g/mol
Exact Mass294.10
IUPAC NameN-(4,6-dimethyl-2-pyridinyl)-4-oxochromene-2-carboxamide
SMILESCc1cc(C)nc(NC(=O)c2cc(=O)c3ccccc3o2)c1
InChIInChI=1S/C17H14N2O3/c1-10-7-11(2)18-16(8-10)19-17(21)15-9-13(20)12-5-3-4-6-14(12)22-15/h3-9H,1-2H3,(H,18,19,21)
InChIKeyCXVCMRBYLKBHIV-UHFFFAOYSA-N
XLogP3.06
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4,6-dimethyl-2-pyridinyl)-1-benzofuran-2-carboxamide
CID 10849364
N-(3,5-dimethylphenyl)-4-oxochromene-2-carboxamide
CID 3536636
N-(2-hydroxy-4-methylphenyl)-4-oxochromene-2-carboxamide
CID 2474419
N-(5-fluoro-2-methylphenyl)-4-oxochromene-2-carboxamide
CID 9097785
N-(2-chlorophenyl)-4-oxochromene-2-carboxamide
CID 892812
4-methyl-3-[(4-oxochromene-2-carbonyl)amino]benzoic acid
CID 3400786
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-4-oxochromene-2-carboxamide
CID 17494612
N-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)-4-oxochromene-2-carboxamide
CID 39835229
N-(4,6-dimethyl-2-pyridinyl)-1-benzofuran-2-carbothioamide
CID 10564850
5-cyano-N-(4,6-dimethyl-2-pyridinyl)furan-2-carboxamide
CID 10586174
N-(3-chloropyrazin-2-yl)-4-oxochromene-2-carboxamide
CID 102989525
N-(6-fluoro-3-pyridinyl)-4-oxochromene-2-carboxamide
CID 103789742

Frequently Asked Questions

What is the IUPAC name of N-(4,6-dimethyl-2-pyridinyl)-4-oxochromene-2-carboxamide?
The IUPAC name of N-(4,6-dimethyl-2-pyridinyl)-4-oxochromene-2-carboxamide (CID 22105775) is N-(4,6-dimethyl-2-pyridinyl)-4-oxochromene-2-carboxamide.
What is the SMILES notation for N-(4,6-dimethyl-2-pyridinyl)-4-oxochromene-2-carboxamide?
The canonical SMILES for N-(4,6-dimethyl-2-pyridinyl)-4-oxochromene-2-carboxamide is Cc1cc(C)nc(NC(=O)c2cc(=O)c3ccccc3o2)c1.
What is the InChIKey of N-(4,6-dimethyl-2-pyridinyl)-4-oxochromene-2-carboxamide?
The InChIKey is CXVCMRBYLKBHIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O3/c1-10-7-11(2)18-16(8-10)19-17(21)15-9-13(20)12-5-3-4-6-14(12)22-15/h3-9H,1-2H3,(H,18,19,21).
What are the key properties of N-(4,6-dimethyl-2-pyridinyl)-4-oxochromene-2-carboxamide?
N-(4,6-dimethyl-2-pyridinyl)-4-oxochromene-2-carboxamide has a molecular weight of 294.31 g/mol, XLogP of 3.06, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-dimethyl-2-pyridinyl)-4-oxochromene-2-carboxamide is sourced from PubChem (CID 22105775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).