2-[3-(methylcarbamoyl)piperidine-1-carbonyl]pyridine-3-carboxylic acid

C14H17N3O4 — CID 103194984

IUPAC2-[3-(methylcarbamoyl)piperidine-1-carbonyl]pyridine-3-carboxylic acid
SMILESCNC(=O)C1CCCN(C(=O)c2ncccc2C(=O)O)C1
InChIInChI=1S/C14H17N3O4/c1-15-12(18)9-4-3-7-17(8-9)13(19)11-10(14(20)21)5-2-6-16-11/h2,5-6,9H,3-4,7-8H2,1H3,(H,15,18)(H,20,21)
InChIKeyCJJBMSHDIMMOMN-UHFFFAOYSA-N
MW291.31 g/mol
LogP0.38
Rot. Bonds3

About 2-[3-(methylcarbamoyl)piperidine-1-carbonyl]pyridine-3-carboxylic acid

2-[3-(methylcarbamoyl)piperidine-1-carbonyl]pyridine-3-carboxylic acid (PubChem CID 103194984) has the molecular formula C14H17N3O4 and a molecular weight of 291.31 g/mol. Its IUPAC name is 2-[3-(methylcarbamoyl)piperidine-1-carbonyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[3-(methylcarbamoyl)piperidine-1-carbonyl]pyridine-3-carboxylic acid
PubChem CID103194984
Molecular FormulaC14H17N3O4
Molecular Weight291.31 g/mol
Exact Mass291.12
IUPAC Name2-[3-(methylcarbamoyl)piperidine-1-carbonyl]pyridine-3-carboxylic acid
SMILESCNC(=O)C1CCCN(C(=O)c2ncccc2C(=O)O)C1
InChIInChI=1S/C14H17N3O4/c1-15-12(18)9-4-3-7-17(8-9)13(19)11-10(14(20)21)5-2-6-16-11/h2,5-6,9H,3-4,7-8H2,1H3,(H,15,18)(H,20,21)
InChIKeyCJJBMSHDIMMOMN-UHFFFAOYSA-N
XLogP0.38
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 ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-acetamidopiperidine-1-carbonyl)pyridine-3-carboxylic acid
CID 63616081
2-(4-methylazepane-1-carbonyl)pyridine-3-carboxylic acid
CID 63622054
N-methyl-1-(pyridine-4-carbonyl)piperidine-3-carboxamide
CID 110258723
2-(3-pyrrolidin-1-ylpyrrolidine-1-carbonyl)pyridine-3-carboxylic acid
CID 63614455
4-[(3S)-3-(methylcarbamoyl)piperidine-1-carbonyl]benzoic acid
CID 124674802
2-(3-aminopyrrolidine-1-carbonyl)pyridine-3-carboxylic acid
CID 55248178
2-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]pyridine-3-carboxylic acid
CID 112624740
methyl (3S)-1-(3-hydroxypyridine-2-carbonyl)piperidine-3-carboxylate
CID 78919789
5-[3-(methylcarbamoyl)piperidine-1-carbonyl]pyridine-2-carboxylic acid
CID 103197596
1-(2-amino-3-chlorobenzoyl)-N-methylpiperidine-3-carboxamide
CID 103194097
1-(2-bromo-3-methylbenzoyl)-N-methylpiperidine-3-carboxamide
CID 103854324
2-[4-(dimethylamino)piperidine-1-carbonyl]pyridine-3-carboxylic acid
CID 63615245

Frequently Asked Questions

What is the IUPAC name of 2-[3-(methylcarbamoyl)piperidine-1-carbonyl]pyridine-3-carboxylic acid?
The IUPAC name of 2-[3-(methylcarbamoyl)piperidine-1-carbonyl]pyridine-3-carboxylic acid (CID 103194984) is 2-[3-(methylcarbamoyl)piperidine-1-carbonyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[3-(methylcarbamoyl)piperidine-1-carbonyl]pyridine-3-carboxylic acid?
The canonical SMILES for 2-[3-(methylcarbamoyl)piperidine-1-carbonyl]pyridine-3-carboxylic acid is CNC(=O)C1CCCN(C(=O)c2ncccc2C(=O)O)C1.
What is the InChIKey of 2-[3-(methylcarbamoyl)piperidine-1-carbonyl]pyridine-3-carboxylic acid?
The InChIKey is CJJBMSHDIMMOMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O4/c1-15-12(18)9-4-3-7-17(8-9)13(19)11-10(14(20)21)5-2-6-16-11/h2,5-6,9H,3-4,7-8H2,1H3,(H,15,18)(H,20,21).
What are the key properties of 2-[3-(methylcarbamoyl)piperidine-1-carbonyl]pyridine-3-carboxylic acid?
2-[3-(methylcarbamoyl)piperidine-1-carbonyl]pyridine-3-carboxylic acid has a molecular weight of 291.31 g/mol, XLogP of 0.38, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(methylcarbamoyl)piperidine-1-carbonyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 103194984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).