6-[[3-(methylcarbamoyl)piperidin-1-yl]methyl]pyridine-3-carboxylic acid

C14H19N3O3 — CID 103196622

IUPAC6-[[3-(methylcarbamoyl)piperidin-1-yl]methyl]pyridine-3-carboxylic acid
SMILESCNC(=O)C1CCCN(Cc2ccc(C(=O)O)cn2)C1
InChIInChI=1S/C14H19N3O3/c1-15-13(18)11-3-2-6-17(8-11)9-12-5-4-10(7-16-12)14(19)20/h4-5,7,11H,2-3,6,8-9H2,1H3,(H,15,18)(H,19,20)
InChIKeyFRXJTNYSKUSKIV-UHFFFAOYSA-N
MW277.32 g/mol
LogP0.74
Rot. Bonds4

About 6-[[3-(methylcarbamoyl)piperidin-1-yl]methyl]pyridine-3-carboxylic acid

6-[[3-(methylcarbamoyl)piperidin-1-yl]methyl]pyridine-3-carboxylic acid (PubChem CID 103196622) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 6-[[3-(methylcarbamoyl)piperidin-1-yl]methyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[[3-(methylcarbamoyl)piperidin-1-yl]methyl]pyridine-3-carboxylic acid
PubChem CID103196622
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name6-[[3-(methylcarbamoyl)piperidin-1-yl]methyl]pyridine-3-carboxylic acid
SMILESCNC(=O)C1CCCN(Cc2ccc(C(=O)O)cn2)C1
InChIInChI=1S/C14H19N3O3/c1-15-13(18)11-3-2-6-17(8-11)9-12-5-4-10(7-16-12)14(19)20/h4-5,7,11H,2-3,6,8-9H2,1H3,(H,15,18)(H,19,20)
InChIKeyFRXJTNYSKUSKIV-UHFFFAOYSA-N
XLogP0.74
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-[[3-(methylcarbamoyl)piperidin-1-yl]methyl]pyridine-3-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

1-benzyl-N-methylpiperidine-3-carboxamide
CID 43918327
1-[(4-carbamothioylphenyl)methyl]-N-methylpiperidine-3-carboxamide
CID 103196061
6-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]pyridine-3-carboxylic acid
CID 81198910
6-[[3-(2-hydroxyethyl)pyrrolidin-1-yl]methyl]pyridine-3-carboxylic acid
CID 114798297
1-[(6-hydrazinyl-3-pyridinyl)methyl]-N-methylpiperidine-3-carboxamide
CID 103198148
1-[[2-(aminomethyl)-3-pyridinyl]methyl]-N-methylpiperidine-3-carboxamide
CID 103194922
1-[(2-ethylphenyl)methyl]-N-methylpiperidine-3-carboxamide
CID 136534264
1-[(2,6-dichlorophenyl)methyl]-N-methylpiperidine-3-carboxamide
CID 43918333
N-methyl-1-[(1-methylimidazol-2-yl)methyl]piperidine-3-carboxamide
CID 110258642
5-[3-(methylcarbamoyl)piperidine-1-carbonyl]pyridine-2-carboxylic acid
CID 103197596
4-[1-[(5-ethyl-2-pyridinyl)methyl]piperidin-3-yl]benzoic acid
CID 72938414
1-[(2-fluorophenyl)methyl]-N-methylpiperidine-3-carboxamide
CID 43918336

Frequently Asked Questions

What is the IUPAC name of 6-[[3-(methylcarbamoyl)piperidin-1-yl]methyl]pyridine-3-carboxylic acid?
The IUPAC name of 6-[[3-(methylcarbamoyl)piperidin-1-yl]methyl]pyridine-3-carboxylic acid (CID 103196622) is 6-[[3-(methylcarbamoyl)piperidin-1-yl]methyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[[3-(methylcarbamoyl)piperidin-1-yl]methyl]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[[3-(methylcarbamoyl)piperidin-1-yl]methyl]pyridine-3-carboxylic acid is CNC(=O)C1CCCN(Cc2ccc(C(=O)O)cn2)C1.
What is the InChIKey of 6-[[3-(methylcarbamoyl)piperidin-1-yl]methyl]pyridine-3-carboxylic acid?
The InChIKey is FRXJTNYSKUSKIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-15-13(18)11-3-2-6-17(8-11)9-12-5-4-10(7-16-12)14(19)20/h4-5,7,11H,2-3,6,8-9H2,1H3,(H,15,18)(H,19,20).
What are the key properties of 6-[[3-(methylcarbamoyl)piperidin-1-yl]methyl]pyridine-3-carboxylic acid?
6-[[3-(methylcarbamoyl)piperidin-1-yl]methyl]pyridine-3-carboxylic acid has a molecular weight of 277.32 g/mol, XLogP of 0.74, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[3-(methylcarbamoyl)piperidin-1-yl]methyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 103196622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).