1-(2-chloropyridine-3-carbonyl)-N-methylpiperidine-2-carboxamide

C13H16ClN3O2 — CID 61052177

IUPAC1-(2-chloropyridine-3-carbonyl)-N-methylpiperidine-2-carboxamide
SMILESCNC(=O)C1CCCCN1C(=O)c1cccnc1Cl
InChIInChI=1S/C13H16ClN3O2/c1-15-12(18)10-6-2-3-8-17(10)13(19)9-5-4-7-16-11(9)14/h4-5,7,10H,2-3,6,8H2,1H3,(H,15,18)
InChIKeyWLCCVSIECZHBJS-UHFFFAOYSA-N
MW281.74 g/mol
LogP1.48
Rot. Bonds2

About 1-(2-chloropyridine-3-carbonyl)-N-methylpiperidine-2-carboxamide

1-(2-chloropyridine-3-carbonyl)-N-methylpiperidine-2-carboxamide (PubChem CID 61052177) has the molecular formula C13H16ClN3O2 and a molecular weight of 281.74 g/mol. Its IUPAC name is 1-(2-chloropyridine-3-carbonyl)-N-methylpiperidine-2-carboxamide.

Molecular Properties

Compound Name1-(2-chloropyridine-3-carbonyl)-N-methylpiperidine-2-carboxamide
PubChem CID61052177
Molecular FormulaC13H16ClN3O2
Molecular Weight281.74 g/mol
Exact Mass281.09
IUPAC Name1-(2-chloropyridine-3-carbonyl)-N-methylpiperidine-2-carboxamide
SMILESCNC(=O)C1CCCCN1C(=O)c1cccnc1Cl
InChIInChI=1S/C13H16ClN3O2/c1-15-12(18)10-6-2-3-8-17(10)13(19)9-5-4-7-16-11(9)14/h4-5,7,10H,2-3,6,8H2,1H3,(H,15,18)
InChIKeyWLCCVSIECZHBJS-UHFFFAOYSA-N
XLogP1.48
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.74
LogP ≤ 51.48
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)piperidine-2-carboxamide
CID 60715718
1-(2-chlorofuran-3-carbonyl)-N-methylpiperidine-2-carboxamide
CID 106686290
1-(5,6-dichloropyridine-3-carbonyl)-N-methylpiperidine-2-carboxamide
CID 60749477
1-(2-fluorobenzoyl)-N-methylpyrrolidine-2-carboxamide
CID 61051030
1-(2-hydroxy-3-methoxybenzoyl)-N-methylpiperidine-2-carboxamide
CID 60968549
2,3,3a,4,5,6,7,7a-octahydroindol-1-yl-(2-chloro-3-pyridinyl)methanone
CID 78958423
methyl 1-(2-methoxypyridine-3-carbonyl)piperidine-2-carboxylate
CID 78925496
(2S)-1-[2-(2-ethoxyethoxy)benzoyl]-N-methylpiperidine-2-carboxamide
CID 124756393
1-(4-chloro-1,3-dimethylpyrazole-5-carbonyl)-N-methylpiperidine-2-carboxamide
CID 118781670
1-(6-fluoropyridine-3-carbonyl)-N-methylpiperidine-2-carboxamide
CID 63978579
1-(5-chloro-2-iodobenzoyl)-N-methylpyrrolidine-2-carboxamide
CID 113231971

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloropyridine-3-carbonyl)-N-methylpiperidine-2-carboxamide?
The IUPAC name of 1-(2-chloropyridine-3-carbonyl)-N-methylpiperidine-2-carboxamide (CID 61052177) is 1-(2-chloropyridine-3-carbonyl)-N-methylpiperidine-2-carboxamide.
What is the SMILES notation for 1-(2-chloropyridine-3-carbonyl)-N-methylpiperidine-2-carboxamide?
The canonical SMILES for 1-(2-chloropyridine-3-carbonyl)-N-methylpiperidine-2-carboxamide is CNC(=O)C1CCCCN1C(=O)c1cccnc1Cl.
What is the InChIKey of 1-(2-chloropyridine-3-carbonyl)-N-methylpiperidine-2-carboxamide?
The InChIKey is WLCCVSIECZHBJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O2/c1-15-12(18)10-6-2-3-8-17(10)13(19)9-5-4-7-16-11(9)14/h4-5,7,10H,2-3,6,8H2,1H3,(H,15,18).
What are the key properties of 1-(2-chloropyridine-3-carbonyl)-N-methylpiperidine-2-carboxamide?
1-(2-chloropyridine-3-carbonyl)-N-methylpiperidine-2-carboxamide has a molecular weight of 281.74 g/mol, XLogP of 1.48, 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)-N-methylpiperidine-2-carboxamide is sourced from PubChem (CID 61052177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).