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

C12H14ClN3O3 — CID 63376854

IUPAC2-(3-carbamoylpiperidin-1-yl)-6-chloropyridine-3-carboxylic acid
SMILESNC(=O)C1CCCN(c2nc(Cl)ccc2C(=O)O)C1
InChIInChI=1S/C12H14ClN3O3/c13-9-4-3-8(12(18)19)11(15-9)16-5-1-2-7(6-16)10(14)17/h3-4,7H,1-2,5-6H2,(H2,14,17)(H,18,19)
InChIKeyHDWLQGBTDGSUBV-UHFFFAOYSA-N
MW283.71 g/mol
LogP1.13
Rot. Bonds3

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

2-(3-carbamoylpiperidin-1-yl)-6-chloropyridine-3-carboxylic acid (PubChem CID 63376854) has the molecular formula C12H14ClN3O3 and a molecular weight of 283.71 g/mol. Its IUPAC name is 2-(3-carbamoylpiperidin-1-yl)-6-chloropyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(3-carbamoylpiperidin-1-yl)-6-chloropyridine-3-carboxylic acid
PubChem CID63376854
Molecular FormulaC12H14ClN3O3
Molecular Weight283.71 g/mol
Exact Mass283.07
IUPAC Name2-(3-carbamoylpiperidin-1-yl)-6-chloropyridine-3-carboxylic acid
SMILESNC(=O)C1CCCN(c2nc(Cl)ccc2C(=O)O)C1
InChIInChI=1S/C12H14ClN3O3/c13-9-4-3-8(12(18)19)11(15-9)16-5-1-2-7(6-16)10(14)17/h3-4,7H,1-2,5-6H2,(H2,14,17)(H,18,19)
InChIKeyHDWLQGBTDGSUBV-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 ≤ 500283.71
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

6-chloro-2-[3-(methylaminomethyl)piperidin-1-yl]pyridine-3-carboxylic acid
CID 55183258
6-chloro-2-(3-ethoxypiperidin-1-yl)pyridine-3-carboxylic acid
CID 63380136
2-(2-carbamoylpiperidin-1-yl)-6-chloropyridine-3-carboxylic acid
CID 63380093
6-(3-carbamoylpiperidin-1-yl)-3-chloropyridine-2-carboxylic acid
CID 43196915
1-(6-amino-3,5-dichloro-2-pyridinyl)piperidine-3-carboxamide
CID 102754346
6-chloro-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pyridine-3-carboxylic acid
CID 79170050
1-(5-bromo-2-chloropyrimidin-4-yl)piperidine-3-carboxamide
CID 79075744
6-chloro-2-(2,6-dimethylmorpholin-4-yl)pyridine-3-carboxylic acid
CID 63376481
methyl 2-(3-carbamoylpiperidin-1-yl)-6-(trifluoromethyl)pyridine-3-carboxylate
CID 126806850
6-chloro-2-(4,4-dimethylpiperidin-1-yl)pyridine-3-carboxylic acid
CID 63380421
1-(6-chloro-2-pyridinyl)pyrrolidine-3-carboxamide
CID 107257847
methyl 6-chloro-2-pyrrolidin-1-ylpyridine-3-carboxylate
CID 167311278

Frequently Asked Questions

What is the IUPAC name of 2-(3-carbamoylpiperidin-1-yl)-6-chloropyridine-3-carboxylic acid?
The IUPAC name of 2-(3-carbamoylpiperidin-1-yl)-6-chloropyridine-3-carboxylic acid (CID 63376854) is 2-(3-carbamoylpiperidin-1-yl)-6-chloropyridine-3-carboxylic acid.
What is the SMILES notation for 2-(3-carbamoylpiperidin-1-yl)-6-chloropyridine-3-carboxylic acid?
The canonical SMILES for 2-(3-carbamoylpiperidin-1-yl)-6-chloropyridine-3-carboxylic acid is NC(=O)C1CCCN(c2nc(Cl)ccc2C(=O)O)C1.
What is the InChIKey of 2-(3-carbamoylpiperidin-1-yl)-6-chloropyridine-3-carboxylic acid?
The InChIKey is HDWLQGBTDGSUBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3O3/c13-9-4-3-8(12(18)19)11(15-9)16-5-1-2-7(6-16)10(14)17/h3-4,7H,1-2,5-6H2,(H2,14,17)(H,18,19).
What are the key properties of 2-(3-carbamoylpiperidin-1-yl)-6-chloropyridine-3-carboxylic acid?
2-(3-carbamoylpiperidin-1-yl)-6-chloropyridine-3-carboxylic acid has a molecular weight of 283.71 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 2-(3-carbamoylpiperidin-1-yl)-6-chloropyridine-3-carboxylic acid is sourced from PubChem (CID 63376854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).