1-(2-chloropyridine-3-carbonyl)piperidine-2-carboxamide

C12H14ClN3O2 — CID 60715718

IUPAC1-(2-chloropyridine-3-carbonyl)piperidine-2-carboxamide
SMILESNC(=O)C1CCCCN1C(=O)c1cccnc1Cl
InChIInChI=1S/C12H14ClN3O2/c13-10-8(4-3-6-15-10)12(18)16-7-2-1-5-9(16)11(14)17/h3-4,6,9H,1-2,5,7H2,(H2,14,17)
InChIKeyIIOCDTHIOOGVEM-UHFFFAOYSA-N
MW267.72 g/mol
LogP1.22
Rot. Bonds2

About 1-(2-chloropyridine-3-carbonyl)piperidine-2-carboxamide

1-(2-chloropyridine-3-carbonyl)piperidine-2-carboxamide (PubChem CID 60715718) has the molecular formula C12H14ClN3O2 and a molecular weight of 267.72 g/mol. Its IUPAC name is 1-(2-chloropyridine-3-carbonyl)piperidine-2-carboxamide.

Molecular Properties

Compound Name1-(2-chloropyridine-3-carbonyl)piperidine-2-carboxamide
PubChem CID60715718
Molecular FormulaC12H14ClN3O2
Molecular Weight267.72 g/mol
Exact Mass267.08
IUPAC Name1-(2-chloropyridine-3-carbonyl)piperidine-2-carboxamide
SMILESNC(=O)C1CCCCN1C(=O)c1cccnc1Cl
InChIInChI=1S/C12H14ClN3O2/c13-10-8(4-3-6-15-10)12(18)16-7-2-1-5-9(16)11(14)17/h3-4,6,9H,1-2,5,7H2,(H2,14,17)
InChIKeyIIOCDTHIOOGVEM-UHFFFAOYSA-N
XLogP1.22
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.72
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-1-(2-chloropyridine-3-carbonyl)piperidine-2-carboxylic acid
CID 97169127
1-(2-chloropyridine-3-carbonyl)-N-methylpiperidine-2-carboxamide
CID 61052177
1-(3-bromopyridine-2-carbonyl)piperidine-2-carboxamide
CID 107518190
1-(2-chlorofuran-3-carbonyl)pyrrolidine-2-carboxamide
CID 106685344
2,3,3a,4,5,6,7,7a-octahydroindol-1-yl-(2-chloro-3-pyridinyl)methanone
CID 78958423
2-(2-carbamoylpyrrolidine-1-carbonyl)benzoic acid
CID 43396532
1-[(2-chloro-3-pyridinyl)sulfonyl]piperidine-2-carboxamide
CID 54980224
1-(4-chloro-2-hydroxybenzoyl)piperidine-2-carboxamide
CID 54943176
methyl 1-(2-methoxypyridine-3-carbonyl)piperidine-2-carboxylate
CID 78925496
1-(2-fluorobenzoyl)pyrrolidine-2-carboxamide
CID 60659210
ethyl 1-(2-methylpyridine-3-carbonyl)piperidine-2-carboxylate
CID 21255125
1-(3-chloro-2-methylbenzoyl)piperidine-2-carbothioamide
CID 107096844

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloropyridine-3-carbonyl)piperidine-2-carboxamide?
The IUPAC name of 1-(2-chloropyridine-3-carbonyl)piperidine-2-carboxamide (CID 60715718) is 1-(2-chloropyridine-3-carbonyl)piperidine-2-carboxamide.
What is the SMILES notation for 1-(2-chloropyridine-3-carbonyl)piperidine-2-carboxamide?
The canonical SMILES for 1-(2-chloropyridine-3-carbonyl)piperidine-2-carboxamide is NC(=O)C1CCCCN1C(=O)c1cccnc1Cl.
What is the InChIKey of 1-(2-chloropyridine-3-carbonyl)piperidine-2-carboxamide?
The InChIKey is IIOCDTHIOOGVEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3O2/c13-10-8(4-3-6-15-10)12(18)16-7-2-1-5-9(16)11(14)17/h3-4,6,9H,1-2,5,7H2,(H2,14,17).
What are the key properties of 1-(2-chloropyridine-3-carbonyl)piperidine-2-carboxamide?
1-(2-chloropyridine-3-carbonyl)piperidine-2-carboxamide has a molecular weight of 267.72 g/mol, XLogP of 1.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloropyridine-3-carbonyl)piperidine-2-carboxamide is sourced from PubChem (CID 60715718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).