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

C18H15FN2O4 — CID 22425488

IUPACN-(5-fluoro-2-methylphenyl)-5-(hydroxymethyl)-8-methyl-2-oxopyrano[2,3-c]pyridine-3-carboxamide
SMILESCc1ccc(F)cc1NC(=O)c1cc2c(CO)cnc(C)c2oc1=O
InChIInChI=1S/C18H15FN2O4/c1-9-3-4-12(19)5-15(9)21-17(23)14-6-13-11(8-22)7-20-10(2)16(13)25-18(14)24/h3-7,22H,8H2,1-2H3,(H,21,23)
InChIKeyTVSQRTATZKLVAZ-UHFFFAOYSA-N
MW342.33 g/mol
LogP2.69
Rot. Bonds3

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

N-(5-fluoro-2-methylphenyl)-5-(hydroxymethyl)-8-methyl-2-oxopyrano[2,3-c]pyridine-3-carboxamide (PubChem CID 22425488) has the molecular formula C18H15FN2O4 and a molecular weight of 342.33 g/mol. Its IUPAC name is N-(5-fluoro-2-methylphenyl)-5-(hydroxymethyl)-8-methyl-2-oxopyrano[2,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(5-fluoro-2-methylphenyl)-5-(hydroxymethyl)-8-methyl-2-oxopyrano[2,3-c]pyridine-3-carboxamide
PubChem CID22425488
Molecular FormulaC18H15FN2O4
Molecular Weight342.33 g/mol
Exact Mass342.10
IUPAC NameN-(5-fluoro-2-methylphenyl)-5-(hydroxymethyl)-8-methyl-2-oxopyrano[2,3-c]pyridine-3-carboxamide
SMILESCc1ccc(F)cc1NC(=O)c1cc2c(CO)cnc(C)c2oc1=O
InChIInChI=1S/C18H15FN2O4/c1-9-3-4-12(19)5-15(9)21-17(23)14-6-13-11(8-22)7-20-10(2)16(13)25-18(14)24/h3-7,22H,8H2,1-2H3,(H,21,23)
InChIKeyTVSQRTATZKLVAZ-UHFFFAOYSA-N
XLogP2.69
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.33
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(5-fluoro-2-methylphenyl)-5-(hydroxymethyl)-8-methyl-2-oxopyrano[2,3-c]pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2,4-difluorophenyl)-5-(hydroxymethyl)-8-methyl-2-oxopyrano[2,3-c]pyridine-3-carboxamide
CID 22425469
N-(5-fluoro-2-methylphenyl)-5-(hydroxymethyl)-2-imino-8-methylpyrano[2,3-c]pyridine-3-carboxamide
CID 22425475
N-(3,4-dimethylphenyl)-5-(hydroxymethyl)-8-methyl-2-oxopyrano[2,3-c]pyridine-3-carboxamide
CID 4088801
N-(4-bromo-3-methylphenyl)-5-(hydroxymethyl)-8-methyl-2-oxopyrano[2,3-c]pyridine-3-carboxamide
CID 46507644
N-(5-chloro-2,4-dimethoxyphenyl)-5-(hydroxymethyl)-8-methyl-2-oxopyrano[2,3-c]pyridine-3-carboxamide
CID 22588292
N-(4-bromophenyl)-2-(4-fluorophenyl)imino-5-(hydroxymethyl)-8-methylpyrano[2,3-c]pyridine-3-carboxamide
CID 4139764
N-(2-fluorophenyl)-5-(hydroxymethyl)-2-(2-methoxyphenyl)imino-8-methylpyrano[2,3-c]pyridine-3-carboxamide
CID 5233830
N-(4-bromophenyl)-2-(3-fluoro-4-methylphenyl)imino-5-(hydroxymethyl)-8-methylpyrano[2,3-c]pyridine-3-carboxamide
CID 4142357
[8-methyl-2-oxo-3-(phenylcarbamoyl)pyrano[2,3-c]pyridin-5-yl]methyl acetate
CID 46346279
5-(hydroxymethyl)-2-imino-8-methyl-N-[2-(trifluoromethyl)phenyl]pyrano[2,3-c]pyridine-3-carboxamide
CID 22425489
(2E)-N-(4-bromo-3-methylphenyl)-2-hydroxyimino-5-(hydroxymethyl)-8-methylpyrano[2,3-c]pyridine-3-carboxamide
CID 136806736
N-(2-chlorophenyl)-5-(hydroxymethyl)-2-(2-methoxyphenyl)imino-8-methylpyrano[2,3-c]pyridine-3-carboxamide
CID 4618044

Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-2-methylphenyl)-5-(hydroxymethyl)-8-methyl-2-oxopyrano[2,3-c]pyridine-3-carboxamide?
The IUPAC name of N-(5-fluoro-2-methylphenyl)-5-(hydroxymethyl)-8-methyl-2-oxopyrano[2,3-c]pyridine-3-carboxamide (CID 22425488) is N-(5-fluoro-2-methylphenyl)-5-(hydroxymethyl)-8-methyl-2-oxopyrano[2,3-c]pyridine-3-carboxamide.
What is the SMILES notation for N-(5-fluoro-2-methylphenyl)-5-(hydroxymethyl)-8-methyl-2-oxopyrano[2,3-c]pyridine-3-carboxamide?
The canonical SMILES for N-(5-fluoro-2-methylphenyl)-5-(hydroxymethyl)-8-methyl-2-oxopyrano[2,3-c]pyridine-3-carboxamide is Cc1ccc(F)cc1NC(=O)c1cc2c(CO)cnc(C)c2oc1=O.
What is the InChIKey of N-(5-fluoro-2-methylphenyl)-5-(hydroxymethyl)-8-methyl-2-oxopyrano[2,3-c]pyridine-3-carboxamide?
The InChIKey is TVSQRTATZKLVAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O4/c1-9-3-4-12(19)5-15(9)21-17(23)14-6-13-11(8-22)7-20-10(2)16(13)25-18(14)24/h3-7,22H,8H2,1-2H3,(H,21,23).
What are the key properties of N-(5-fluoro-2-methylphenyl)-5-(hydroxymethyl)-8-methyl-2-oxopyrano[2,3-c]pyridine-3-carboxamide?
N-(5-fluoro-2-methylphenyl)-5-(hydroxymethyl)-8-methyl-2-oxopyrano[2,3-c]pyridine-3-carboxamide has a molecular weight of 342.33 g/mol, XLogP of 2.69, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-2-methylphenyl)-5-(hydroxymethyl)-8-methyl-2-oxopyrano[2,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 22425488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).