N-(3,4-dimethylphenyl)-5-(hydroxymethyl)-8-methyl-2-oxopyrano[2,3-c]pyridine-3-carboxamide

C19H18N2O4 — CID 4088801

IUPACN-(3,4-dimethylphenyl)-5-(hydroxymethyl)-8-methyl-2-oxopyrano[2,3-c]pyridine-3-carboxamide
SMILESCc1ccc(NC(=O)c2cc3c(CO)cnc(C)c3oc2=O)cc1C
InChIInChI=1S/C19H18N2O4/c1-10-4-5-14(6-11(10)2)21-18(23)16-7-15-13(9-22)8-20-12(3)17(15)25-19(16)24/h4-8,22H,9H2,1-3H3,(H,21,23)
InChIKeyKJCZAJJSLQNZLS-UHFFFAOYSA-N
MW338.36 g/mol
LogP2.86
Rot. Bonds3

About N-(3,4-dimethylphenyl)-5-(hydroxymethyl)-8-methyl-2-oxopyrano[2,3-c]pyridine-3-carboxamide

N-(3,4-dimethylphenyl)-5-(hydroxymethyl)-8-methyl-2-oxopyrano[2,3-c]pyridine-3-carboxamide (PubChem CID 4088801) has the molecular formula C19H18N2O4 and a molecular weight of 338.36 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-5-(hydroxymethyl)-8-methyl-2-oxopyrano[2,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-5-(hydroxymethyl)-8-methyl-2-oxopyrano[2,3-c]pyridine-3-carboxamide
PubChem CID4088801
Molecular FormulaC19H18N2O4
Molecular Weight338.36 g/mol
Exact Mass338.13
IUPAC NameN-(3,4-dimethylphenyl)-5-(hydroxymethyl)-8-methyl-2-oxopyrano[2,3-c]pyridine-3-carboxamide
SMILESCc1ccc(NC(=O)c2cc3c(CO)cnc(C)c3oc2=O)cc1C
InChIInChI=1S/C19H18N2O4/c1-10-4-5-14(6-11(10)2)21-18(23)16-7-15-13(9-22)8-20-12(3)17(15)25-19(16)24/h4-8,22H,9H2,1-3H3,(H,21,23)
InChIKeyKJCZAJJSLQNZLS-UHFFFAOYSA-N
XLogP2.86
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-bromo-3-methylphenyl)-5-(hydroxymethyl)-8-methyl-2-oxopyrano[2,3-c]pyridine-3-carboxamide
CID 46507644
N-(2,4-difluorophenyl)-5-(hydroxymethyl)-8-methyl-2-oxopyrano[2,3-c]pyridine-3-carboxamide
CID 22425469
(2E)-N-(4-bromo-3-methylphenyl)-2-hydroxyimino-5-(hydroxymethyl)-8-methylpyrano[2,3-c]pyridine-3-carboxamide
CID 136806736
N-(4-bromo-3-methylphenyl)-5-(hydroxymethyl)-2-imino-8-methylpyrano[2,3-c]pyridine-3-carboxamide
CID 22425470
N-(5-chloro-2,4-dimethoxyphenyl)-5-(hydroxymethyl)-8-methyl-2-oxopyrano[2,3-c]pyridine-3-carboxamide
CID 22588292
[8-methyl-2-oxo-3-(phenylcarbamoyl)pyrano[2,3-c]pyridin-5-yl]methyl acetate
CID 46346279
5-(hydroxymethyl)-2-imino-8-methyl-N-[4-(trifluoromethyl)phenyl]pyrano[2,3-c]pyridine-3-carboxamide
CID 4608916
N-(3,4-dimethylphenyl)-3-oxobenzo[f]chromene-2-carboxamide
CID 3316389
N-(4-bromophenyl)-5-(hydroxymethyl)-2-(2-methoxyphenyl)imino-8-methylpyrano[2,3-c]pyridine-3-carboxamide
CID 4142465
N-(4-bromophenyl)-2-(4-fluorophenyl)imino-5-(hydroxymethyl)-8-methylpyrano[2,3-c]pyridine-3-carboxamide
CID 4139764
N-(5-fluoro-2-methylphenyl)-5-(hydroxymethyl)-2-imino-8-methylpyrano[2,3-c]pyridine-3-carboxamide
CID 22425475
methyl 4-[[5-(hydroxymethyl)-8-methyl-2-(4-methylphenyl)iminopyrano[2,3-c]pyridine-3-carbonyl]amino]benzoate
CID 3411454

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-5-(hydroxymethyl)-8-methyl-2-oxopyrano[2,3-c]pyridine-3-carboxamide?
The IUPAC name of N-(3,4-dimethylphenyl)-5-(hydroxymethyl)-8-methyl-2-oxopyrano[2,3-c]pyridine-3-carboxamide (CID 4088801) is N-(3,4-dimethylphenyl)-5-(hydroxymethyl)-8-methyl-2-oxopyrano[2,3-c]pyridine-3-carboxamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-5-(hydroxymethyl)-8-methyl-2-oxopyrano[2,3-c]pyridine-3-carboxamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-5-(hydroxymethyl)-8-methyl-2-oxopyrano[2,3-c]pyridine-3-carboxamide is Cc1ccc(NC(=O)c2cc3c(CO)cnc(C)c3oc2=O)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-5-(hydroxymethyl)-8-methyl-2-oxopyrano[2,3-c]pyridine-3-carboxamide?
The InChIKey is KJCZAJJSLQNZLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O4/c1-10-4-5-14(6-11(10)2)21-18(23)16-7-15-13(9-22)8-20-12(3)17(15)25-19(16)24/h4-8,22H,9H2,1-3H3,(H,21,23).
What are the key properties of N-(3,4-dimethylphenyl)-5-(hydroxymethyl)-8-methyl-2-oxopyrano[2,3-c]pyridine-3-carboxamide?
N-(3,4-dimethylphenyl)-5-(hydroxymethyl)-8-methyl-2-oxopyrano[2,3-c]pyridine-3-carboxamide has a molecular weight of 338.36 g/mol, XLogP of 2.86, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-5-(hydroxymethyl)-8-methyl-2-oxopyrano[2,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 4088801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).