6-[[2-(2-methylpropylamino)-2-oxoethyl]carbamoyl]pyridine-2-carboxylic acid

C13H17N3O4 — CID 115730327

IUPAC6-[[2-(2-methylpropylamino)-2-oxoethyl]carbamoyl]pyridine-2-carboxylic acid
SMILESCC(C)CNC(=O)CNC(=O)c1cccc(C(=O)O)n1
InChIInChI=1S/C13H17N3O4/c1-8(2)6-14-11(17)7-15-12(18)9-4-3-5-10(16-9)13(19)20/h3-5,8H,6-7H2,1-2H3,(H,14,17)(H,15,18)(H,19,20)
InChIKeyFFSCUSNIIQNAHZ-UHFFFAOYSA-N
MW279.30 g/mol
LogP0.28
Rot. Bonds6

About 6-[[2-(2-methylpropylamino)-2-oxoethyl]carbamoyl]pyridine-2-carboxylic acid

6-[[2-(2-methylpropylamino)-2-oxoethyl]carbamoyl]pyridine-2-carboxylic acid (PubChem CID 115730327) has the molecular formula C13H17N3O4 and a molecular weight of 279.30 g/mol. Its IUPAC name is 6-[[2-(2-methylpropylamino)-2-oxoethyl]carbamoyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[[2-(2-methylpropylamino)-2-oxoethyl]carbamoyl]pyridine-2-carboxylic acid
PubChem CID115730327
Molecular FormulaC13H17N3O4
Molecular Weight279.30 g/mol
Exact Mass279.12
IUPAC Name6-[[2-(2-methylpropylamino)-2-oxoethyl]carbamoyl]pyridine-2-carboxylic acid
SMILESCC(C)CNC(=O)CNC(=O)c1cccc(C(=O)O)n1
InChIInChI=1S/C13H17N3O4/c1-8(2)6-14-11(17)7-15-12(18)9-4-3-5-10(16-9)13(19)20/h3-5,8H,6-7H2,1-2H3,(H,14,17)(H,15,18)(H,19,20)
InChIKeyFFSCUSNIIQNAHZ-UHFFFAOYSA-N
XLogP0.28
TPSA108.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 50.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 6-[[2-(2-methylpropylamino)-2-oxoethyl]carbamoyl]pyridine-2-carboxylic acid 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

2-N-benzyl-6-N-(2-methylpropyl)pyridine-2,6-dicarboxamide
CID 109094402
2-N-(2-methylpropyl)-6-N-phenylpyridine-2,6-dicarboxamide
CID 109094464
6-(2,2-difluoroethylcarbamoyl)pyridine-2-carboxylic acid
CID 115408328
dysprosium;tris(6-(ethylcarbamoyl)pyridine-2-carboxylic acid)
CID 139213338
6-(2-propan-2-yloxyethylcarbamoyl)pyridine-2-carboxylic acid
CID 104764713
N-(2-methylpropyl)-6-(piperidine-1-carbonyl)pyridine-2-carboxamide
CID 109094386
6-N-(4-chlorophenyl)-2-N-(2-methylpropyl)pyridine-2,6-dicarboxamide
CID 109094492
6-chloro-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyridine-2-carboxamide
CID 55052492
2-N-[(4-chlorophenyl)methyl]-6-N-(2-methylpropyl)pyridine-2,6-dicarboxamide
CID 109094411
5-chloro-N-[2-(2-methylpropylamino)-2-oxoethyl]pyrazine-2-carboxamide
CID 107257583
6-(4-formylpiperazine-1-carbonyl)-N-(2-methylpropyl)pyridine-2-carboxamide
CID 109094399
2-N-[(2-chlorophenyl)methyl]-6-N-(2-methylpropyl)pyridine-2,6-dicarboxamide
CID 109094410

Frequently Asked Questions

What is the IUPAC name of 6-[[2-(2-methylpropylamino)-2-oxoethyl]carbamoyl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[[2-(2-methylpropylamino)-2-oxoethyl]carbamoyl]pyridine-2-carboxylic acid (CID 115730327) is 6-[[2-(2-methylpropylamino)-2-oxoethyl]carbamoyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[[2-(2-methylpropylamino)-2-oxoethyl]carbamoyl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[[2-(2-methylpropylamino)-2-oxoethyl]carbamoyl]pyridine-2-carboxylic acid is CC(C)CNC(=O)CNC(=O)c1cccc(C(=O)O)n1.
What is the InChIKey of 6-[[2-(2-methylpropylamino)-2-oxoethyl]carbamoyl]pyridine-2-carboxylic acid?
The InChIKey is FFSCUSNIIQNAHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O4/c1-8(2)6-14-11(17)7-15-12(18)9-4-3-5-10(16-9)13(19)20/h3-5,8H,6-7H2,1-2H3,(H,14,17)(H,15,18)(H,19,20).
What are the key properties of 6-[[2-(2-methylpropylamino)-2-oxoethyl]carbamoyl]pyridine-2-carboxylic acid?
6-[[2-(2-methylpropylamino)-2-oxoethyl]carbamoyl]pyridine-2-carboxylic acid has a molecular weight of 279.30 g/mol, XLogP of 0.28, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-(2-methylpropylamino)-2-oxoethyl]carbamoyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 115730327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).