6-(3-carbamoylpiperidin-1-yl)-3-chloropyridine-2-carboxylic acid

C12H14ClN3O3 — CID 43196915

IUPAC6-(3-carbamoylpiperidin-1-yl)-3-chloropyridine-2-carboxylic acid
SMILESNC(=O)C1CCCN(c2ccc(Cl)c(C(=O)O)n2)C1
InChIInChI=1S/C12H14ClN3O3/c13-8-3-4-9(15-10(8)12(18)19)16-5-1-2-7(6-16)11(14)17/h3-4,7H,1-2,5-6H2,(H2,14,17)(H,18,19)
InChIKeyVYDBKBXUXHLWRZ-UHFFFAOYSA-N
MW283.72 g/mol
LogP1.13
Rot. Bonds3

About 6-(3-carbamoylpiperidin-1-yl)-3-chloropyridine-2-carboxylic acid

6-(3-carbamoylpiperidin-1-yl)-3-chloropyridine-2-carboxylic acid (PubChem CID 43196915) has the molecular formula C12H14ClN3O3 and a molecular weight of 283.72 g/mol. Its IUPAC name is 6-(3-carbamoylpiperidin-1-yl)-3-chloropyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-(3-carbamoylpiperidin-1-yl)-3-chloropyridine-2-carboxylic acid
PubChem CID43196915
Molecular FormulaC12H14ClN3O3
Molecular Weight283.72 g/mol
Exact Mass283.07
IUPAC Name6-(3-carbamoylpiperidin-1-yl)-3-chloropyridine-2-carboxylic acid
SMILESNC(=O)C1CCCN(c2ccc(Cl)c(C(=O)O)n2)C1
InChIInChI=1S/C12H14ClN3O3/c13-8-3-4-9(15-10(8)12(18)19)16-5-1-2-7(6-16)11(14)17/h3-4,7H,1-2,5-6H2,(H2,14,17)(H,18,19)
InChIKeyVYDBKBXUXHLWRZ-UHFFFAOYSA-N
XLogP1.13
TPSA96.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.72
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-6-(3-methylpyrrolidin-1-yl)pyridine-2-carboxylic acid
CID 61224854
2-(3-carbamoylpiperidin-1-yl)-6-chloropyridine-3-carboxylic acid
CID 63376854
1-(6-chloro-2-pyridinyl)pyrrolidine-3-carboxamide
CID 107257847
(3S)-1-(5-amino-2-pyridinyl)piperidine-3-carboxamide
CID 30115330
1-(6-hydrazinyl-2-pyridinyl)piperidine-3-carboxamide
CID 80918435
1-(5-chloro-4-phenyl-2-pyridinyl)piperidine-3-carboxamide
CID 174659372
1-(5-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 90309940
6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-3-chloropyridine-2-carboxylic acid
CID 65321116
1-(6-amino-3,5-dichloro-2-pyridinyl)piperidine-3-carboxamide
CID 102754346
3-chloro-6-[4-(1-hydroxy-3-methylbutyl)piperidin-1-yl]pyridine-2-carboxylic acid
CID 72889396
(3R)-1-(2-amino-6-chloropyrimidin-4-yl)piperidine-3-carboxylic acid
CID 94830339
1-(6-bromo-8-chloroquinolin-2-yl)pyrrolidine-3-carboxamide
CID 133437188

Frequently Asked Questions

What is the IUPAC name of 6-(3-carbamoylpiperidin-1-yl)-3-chloropyridine-2-carboxylic acid?
The IUPAC name of 6-(3-carbamoylpiperidin-1-yl)-3-chloropyridine-2-carboxylic acid (CID 43196915) is 6-(3-carbamoylpiperidin-1-yl)-3-chloropyridine-2-carboxylic acid.
What is the SMILES notation for 6-(3-carbamoylpiperidin-1-yl)-3-chloropyridine-2-carboxylic acid?
The canonical SMILES for 6-(3-carbamoylpiperidin-1-yl)-3-chloropyridine-2-carboxylic acid is NC(=O)C1CCCN(c2ccc(Cl)c(C(=O)O)n2)C1.
What is the InChIKey of 6-(3-carbamoylpiperidin-1-yl)-3-chloropyridine-2-carboxylic acid?
The InChIKey is VYDBKBXUXHLWRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3O3/c13-8-3-4-9(15-10(8)12(18)19)16-5-1-2-7(6-16)11(14)17/h3-4,7H,1-2,5-6H2,(H2,14,17)(H,18,19).
What are the key properties of 6-(3-carbamoylpiperidin-1-yl)-3-chloropyridine-2-carboxylic acid?
6-(3-carbamoylpiperidin-1-yl)-3-chloropyridine-2-carboxylic acid has a molecular weight of 283.72 g/mol, XLogP of 1.13, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-carbamoylpiperidin-1-yl)-3-chloropyridine-2-carboxylic acid is sourced from PubChem (CID 43196915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).