2-methyl-6-(piperidin-4-ylcarbamoyl)pyridine-3-carboxylic acid

C13H17N3O3 — CID 61403303

IUPAC2-methyl-6-(piperidin-4-ylcarbamoyl)pyridine-3-carboxylic acid
SMILESCc1nc(C(=O)NC2CCNCC2)ccc1C(=O)O
InChIInChI=1S/C13H17N3O3/c1-8-10(13(18)19)2-3-11(15-8)12(17)16-9-4-6-14-7-5-9/h2-3,9,14H,4-7H2,1H3,(H,16,17)(H,18,19)
InChIKeyOVBJDQIOZIIKDX-UHFFFAOYSA-N
MW263.30 g/mol
LogP0.57
Rot. Bonds3

About 2-methyl-6-(piperidin-4-ylcarbamoyl)pyridine-3-carboxylic acid

2-methyl-6-(piperidin-4-ylcarbamoyl)pyridine-3-carboxylic acid (PubChem CID 61403303) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is 2-methyl-6-(piperidin-4-ylcarbamoyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-methyl-6-(piperidin-4-ylcarbamoyl)pyridine-3-carboxylic acid
PubChem CID61403303
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Name2-methyl-6-(piperidin-4-ylcarbamoyl)pyridine-3-carboxylic acid
SMILESCc1nc(C(=O)NC2CCNCC2)ccc1C(=O)O
InChIInChI=1S/C13H17N3O3/c1-8-10(13(18)19)2-3-11(15-8)12(17)16-9-4-6-14-7-5-9/h2-3,9,14H,4-7H2,1H3,(H,16,17)(H,18,19)
InChIKeyOVBJDQIOZIIKDX-UHFFFAOYSA-N
XLogP0.57
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 50.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

6-(piperidin-4-ylcarbamoyl)pyridine-2-carboxylic acid
CID 61403349
6-methyl-N-pyrrolidin-3-ylpyridine-2-carboxamide;dihydrochloride
CID 119451522
N-[(4S)-azepan-4-yl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 124938802
2-phenyl-N-piperidin-4-yl-1,3-oxazole-4-carboxamide
CID 119390406
4-hydroxy-2-methyl-N-piperidin-4-ylbenzamide
CID 107671351
2-methyl-N-piperidin-4-ylquinoline-8-carboxamide;dihydrochloride
CID 119386176
2-bromo-4-methyl-N-piperidin-4-yl-1,3-thiazole-5-carboxamide
CID 67204816
2-methyl-6-(pyrimidin-2-ylcarbamoyl)pyridine-3-carboxylic acid
CID 43453127
2-fluoro-4-methyl-N-piperidin-4-ylbenzamide;hydrochloride
CID 119389290
2-iodo-3-methyl-N-piperidin-4-ylbenzamide;hydrochloride
CID 119387158
4-amino-N-piperidin-4-ylquinoline-2-carboxamide
CID 71141710
2-methyl-6-[(2-methylphenyl)carbamoyl]pyridine-3-carboxylic acid
CID 43453231

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(piperidin-4-ylcarbamoyl)pyridine-3-carboxylic acid?
The IUPAC name of 2-methyl-6-(piperidin-4-ylcarbamoyl)pyridine-3-carboxylic acid (CID 61403303) is 2-methyl-6-(piperidin-4-ylcarbamoyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 2-methyl-6-(piperidin-4-ylcarbamoyl)pyridine-3-carboxylic acid?
The canonical SMILES for 2-methyl-6-(piperidin-4-ylcarbamoyl)pyridine-3-carboxylic acid is Cc1nc(C(=O)NC2CCNCC2)ccc1C(=O)O.
What is the InChIKey of 2-methyl-6-(piperidin-4-ylcarbamoyl)pyridine-3-carboxylic acid?
The InChIKey is OVBJDQIOZIIKDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c1-8-10(13(18)19)2-3-11(15-8)12(17)16-9-4-6-14-7-5-9/h2-3,9,14H,4-7H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 2-methyl-6-(piperidin-4-ylcarbamoyl)pyridine-3-carboxylic acid?
2-methyl-6-(piperidin-4-ylcarbamoyl)pyridine-3-carboxylic acid has a molecular weight of 263.30 g/mol, XLogP of 0.57, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(piperidin-4-ylcarbamoyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 61403303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).