5-[3-(methylcarbamoyl)piperidine-1-carbonyl]pyridine-2-carboxylic acid

C14H17N3O4 — CID 103197596

IUPAC5-[3-(methylcarbamoyl)piperidine-1-carbonyl]pyridine-2-carboxylic acid
SMILESCNC(=O)C1CCCN(C(=O)c2ccc(C(=O)O)nc2)C1
InChIInChI=1S/C14H17N3O4/c1-15-12(18)10-3-2-6-17(8-10)13(19)9-4-5-11(14(20)21)16-7-9/h4-5,7,10H,2-3,6,8H2,1H3,(H,15,18)(H,20,21)
InChIKeyXZHWIXYMVYTSAN-UHFFFAOYSA-N
MW291.31 g/mol
LogP0.38
Rot. Bonds3

About 5-[3-(methylcarbamoyl)piperidine-1-carbonyl]pyridine-2-carboxylic acid

5-[3-(methylcarbamoyl)piperidine-1-carbonyl]pyridine-2-carboxylic acid (PubChem CID 103197596) has the molecular formula C14H17N3O4 and a molecular weight of 291.31 g/mol. Its IUPAC name is 5-[3-(methylcarbamoyl)piperidine-1-carbonyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[3-(methylcarbamoyl)piperidine-1-carbonyl]pyridine-2-carboxylic acid
PubChem CID103197596
Molecular FormulaC14H17N3O4
Molecular Weight291.31 g/mol
Exact Mass291.12
IUPAC Name5-[3-(methylcarbamoyl)piperidine-1-carbonyl]pyridine-2-carboxylic acid
SMILESCNC(=O)C1CCCN(C(=O)c2ccc(C(=O)O)nc2)C1
InChIInChI=1S/C14H17N3O4/c1-15-12(18)10-3-2-6-17(8-10)13(19)9-4-5-11(14(20)21)16-7-9/h4-5,7,10H,2-3,6,8H2,1H3,(H,15,18)(H,20,21)
InChIKeyXZHWIXYMVYTSAN-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

4-[(3S)-3-(methylcarbamoyl)piperidine-1-carbonyl]benzoic acid
CID 124674802
N-methyl-1-(pyridine-4-carbonyl)piperidine-3-carboxamide
CID 110258723
1-(4-hydroxybenzoyl)-N-methylpiperidine-3-carboxamide
CID 103875344
1-(4-fluorobenzoyl)-N-methylpiperidine-3-carboxamide
CID 47128312
1-(3,4-dihydroxybenzoyl)-N-methylpiperidine-3-carboxamide
CID 103956056
1-(4-bromo-3-methylbenzoyl)-N-methylpiperidine-3-carboxamide
CID 103854325
1-(6-methylpyridine-3-carbonyl)-N-phenylpiperidine-3-carboxamide
CID 18149048
5-[3-(methylamino)piperidine-1-carbonyl]pyridine-2-carboxamide;hydrochloride
CID 119493800
3-[1-[6-(methylcarbamoyl)pyridine-3-carbonyl]piperidin-3-yl]propanoic acid
CID 120536442
5-[3-[(2-methylpropanoylamino)methyl]piperidine-1-carbonyl]pyridine-2-carboxylic acid
CID 120515700
(3R)-N-methyl-1-(1,3-thiazole-4-carbonyl)piperidine-3-carboxamide
CID 95828809
2-[3-(methylcarbamoyl)piperidine-1-carbonyl]pyridine-3-carboxylic acid
CID 103194984

Frequently Asked Questions

What is the IUPAC name of 5-[3-(methylcarbamoyl)piperidine-1-carbonyl]pyridine-2-carboxylic acid?
The IUPAC name of 5-[3-(methylcarbamoyl)piperidine-1-carbonyl]pyridine-2-carboxylic acid (CID 103197596) is 5-[3-(methylcarbamoyl)piperidine-1-carbonyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[3-(methylcarbamoyl)piperidine-1-carbonyl]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[3-(methylcarbamoyl)piperidine-1-carbonyl]pyridine-2-carboxylic acid is CNC(=O)C1CCCN(C(=O)c2ccc(C(=O)O)nc2)C1.
What is the InChIKey of 5-[3-(methylcarbamoyl)piperidine-1-carbonyl]pyridine-2-carboxylic acid?
The InChIKey is XZHWIXYMVYTSAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O4/c1-15-12(18)10-3-2-6-17(8-10)13(19)9-4-5-11(14(20)21)16-7-9/h4-5,7,10H,2-3,6,8H2,1H3,(H,15,18)(H,20,21).
What are the key properties of 5-[3-(methylcarbamoyl)piperidine-1-carbonyl]pyridine-2-carboxylic acid?
5-[3-(methylcarbamoyl)piperidine-1-carbonyl]pyridine-2-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 5-[3-(methylcarbamoyl)piperidine-1-carbonyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 103197596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).