2-[(1-acetylpiperidin-4-yl)carbamoyl]pyridine-3-carboxylic acid

C14H17N3O4 — CID 63616571

IUPAC2-[(1-acetylpiperidin-4-yl)carbamoyl]pyridine-3-carboxylic acid
SMILESCC(=O)N1CCC(NC(=O)c2ncccc2C(=O)O)CC1
InChIInChI=1S/C14H17N3O4/c1-9(18)17-7-4-10(5-8-17)16-13(19)12-11(14(20)21)3-2-6-15-12/h2-3,6,10H,4-5,7-8H2,1H3,(H,16,19)(H,20,21)
InChIKeyRGJDAFIQAFPZGM-UHFFFAOYSA-N
MW291.31 g/mol
LogP0.52
Rot. Bonds3

About 2-[(1-acetylpiperidin-4-yl)carbamoyl]pyridine-3-carboxylic acid

2-[(1-acetylpiperidin-4-yl)carbamoyl]pyridine-3-carboxylic acid (PubChem CID 63616571) has the molecular formula C14H17N3O4 and a molecular weight of 291.31 g/mol. Its IUPAC name is 2-[(1-acetylpiperidin-4-yl)carbamoyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[(1-acetylpiperidin-4-yl)carbamoyl]pyridine-3-carboxylic acid
PubChem CID63616571
Molecular FormulaC14H17N3O4
Molecular Weight291.31 g/mol
Exact Mass291.12
IUPAC Name2-[(1-acetylpiperidin-4-yl)carbamoyl]pyridine-3-carboxylic acid
SMILESCC(=O)N1CCC(NC(=O)c2ncccc2C(=O)O)CC1
InChIInChI=1S/C14H17N3O4/c1-9(18)17-7-4-10(5-8-17)16-13(19)12-11(14(20)21)3-2-6-15-12/h2-3,6,10H,4-5,7-8H2,1H3,(H,16,19)(H,20,21)
InChIKeyRGJDAFIQAFPZGM-UHFFFAOYSA-N
XLogP0.52
TPSA99.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-methylcyclohexyl)carbamoyl]pyridine-3-carboxylic acid
CID 53270856
2-[(1-methyl-6-oxopiperidin-3-yl)carbamoyl]pyridine-3-carboxylic acid
CID 64655940
2-[[4-(cyclopropylamino)-4-oxobutyl]carbamoyl]pyridine-3-carboxylic acid
CID 79377281
2-(3-acetamidopiperidine-1-carbonyl)pyridine-3-carboxylic acid
CID 63616081
2-[3-(cyclopropylamino)propylcarbamoyl]pyridine-3-carboxylic acid
CID 63615272
N-(1-acetylpiperidin-4-yl)-2,3-difluoropyridine-4-carboxamide
CID 105380733
2-[4-(dimethylamino)piperidine-1-carbonyl]pyridine-3-carboxylic acid
CID 63615245
2-[(3-hydroxy-2,2-dimethylcyclobutyl)carbamoyl]pyridine-3-carboxylic acid
CID 114628887
N-cyclopentyl-3-fluoropyridine-2-carboxamide
CID 83407062
3-hydroxy-N-(1-methylpyrrolidin-3-yl)pyridine-2-carboxamide
CID 61465245
N-(1-acetylpiperidin-4-yl)-1H-indazole-3-carboxamide
CID 10108057
2-(3-aminopyrrolidine-1-carbonyl)pyridine-3-carboxylic acid
CID 55248178

Frequently Asked Questions

What is the IUPAC name of 2-[(1-acetylpiperidin-4-yl)carbamoyl]pyridine-3-carboxylic acid?
The IUPAC name of 2-[(1-acetylpiperidin-4-yl)carbamoyl]pyridine-3-carboxylic acid (CID 63616571) is 2-[(1-acetylpiperidin-4-yl)carbamoyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[(1-acetylpiperidin-4-yl)carbamoyl]pyridine-3-carboxylic acid?
The canonical SMILES for 2-[(1-acetylpiperidin-4-yl)carbamoyl]pyridine-3-carboxylic acid is CC(=O)N1CCC(NC(=O)c2ncccc2C(=O)O)CC1.
What is the InChIKey of 2-[(1-acetylpiperidin-4-yl)carbamoyl]pyridine-3-carboxylic acid?
The InChIKey is RGJDAFIQAFPZGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O4/c1-9(18)17-7-4-10(5-8-17)16-13(19)12-11(14(20)21)3-2-6-15-12/h2-3,6,10H,4-5,7-8H2,1H3,(H,16,19)(H,20,21).
What are the key properties of 2-[(1-acetylpiperidin-4-yl)carbamoyl]pyridine-3-carboxylic acid?
2-[(1-acetylpiperidin-4-yl)carbamoyl]pyridine-3-carboxylic acid has a molecular weight of 291.31 g/mol, XLogP of 0.52, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-acetylpiperidin-4-yl)carbamoyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 63616571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).