1-(6-chloro-2-pyridinyl)-N-methylpiperidine-2-carboxamide

C12H16ClN3O — CID 63585985

IUPAC1-(6-chloro-2-pyridinyl)-N-methylpiperidine-2-carboxamide
SMILESCNC(=O)C1CCCCN1c1cccc(Cl)n1
InChIInChI=1S/C12H16ClN3O/c1-14-12(17)9-5-2-3-8-16(9)11-7-4-6-10(13)15-11/h4,6-7,9H,2-3,5,8H2,1H3,(H,14,17)
InChIKeyAZHVGKUFUZIZCC-UHFFFAOYSA-N
MW253.73 g/mol
LogP1.84
Rot. Bonds2

About 1-(6-chloro-2-pyridinyl)-N-methylpiperidine-2-carboxamide

1-(6-chloro-2-pyridinyl)-N-methylpiperidine-2-carboxamide (PubChem CID 63585985) has the molecular formula C12H16ClN3O and a molecular weight of 253.73 g/mol. Its IUPAC name is 1-(6-chloro-2-pyridinyl)-N-methylpiperidine-2-carboxamide.

Molecular Properties

Compound Name1-(6-chloro-2-pyridinyl)-N-methylpiperidine-2-carboxamide
PubChem CID63585985
Molecular FormulaC12H16ClN3O
Molecular Weight253.73 g/mol
Exact Mass253.10
IUPAC Name1-(6-chloro-2-pyridinyl)-N-methylpiperidine-2-carboxamide
SMILESCNC(=O)C1CCCCN1c1cccc(Cl)n1
InChIInChI=1S/C12H16ClN3O/c1-14-12(17)9-5-2-3-8-16(9)11-7-4-6-10(13)15-11/h4,6-7,9H,2-3,5,8H2,1H3,(H,14,17)
InChIKeyAZHVGKUFUZIZCC-UHFFFAOYSA-N
XLogP1.84
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.73
LogP ≤ 51.84
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

1-(6-chloro-2-propan-2-ylpyrimidin-4-yl)-N-methylpiperidine-2-carboxamide
CID 80954178
1-(2,5-dichloropyrimidin-4-yl)-N-methylpiperidine-2-carboxamide
CID 79632083
1-(5-aminopyrazin-2-yl)-N-methylpiperidine-2-carboxamide
CID 80653622
1-(5-formyl-2-pyridinyl)-N-methylpiperidine-2-carboxamide
CID 80638521
N-methyl-1-[6-(methylamino)pyrimidin-4-yl]piperidine-2-carboxamide
CID 80806703
1-(2-chloroquinazolin-4-yl)-N-methylpyrrolidine-2-carboxamide
CID 62477865
1-(5-bromo-3-chloro-2-pyridinyl)-N-methylpiperidine-2-carboxamide
CID 103583254
[4-(6-chloro-2-pyridinyl)piperazin-1-yl]-[(2S)-1-methylpiperidin-2-yl]methanone
CID 95622258
4-chloro-2-[2-(methylcarbamoyl)piperidin-1-yl]benzoic acid
CID 114845024
1-(2-hydrazinylpyrimidin-4-yl)-N-methylpyrrolidine-2-carboxamide
CID 80904751
1-[2-(aminomethyl)-6-methylphenyl]-N-methylpiperidine-2-carboxamide
CID 107105615
3-amino-2-[2-(methylcarbamoyl)piperidin-1-yl]benzoic acid
CID 115934550

Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-2-pyridinyl)-N-methylpiperidine-2-carboxamide?
The IUPAC name of 1-(6-chloro-2-pyridinyl)-N-methylpiperidine-2-carboxamide (CID 63585985) is 1-(6-chloro-2-pyridinyl)-N-methylpiperidine-2-carboxamide.
What is the SMILES notation for 1-(6-chloro-2-pyridinyl)-N-methylpiperidine-2-carboxamide?
The canonical SMILES for 1-(6-chloro-2-pyridinyl)-N-methylpiperidine-2-carboxamide is CNC(=O)C1CCCCN1c1cccc(Cl)n1.
What is the InChIKey of 1-(6-chloro-2-pyridinyl)-N-methylpiperidine-2-carboxamide?
The InChIKey is AZHVGKUFUZIZCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3O/c1-14-12(17)9-5-2-3-8-16(9)11-7-4-6-10(13)15-11/h4,6-7,9H,2-3,5,8H2,1H3,(H,14,17).
What are the key properties of 1-(6-chloro-2-pyridinyl)-N-methylpiperidine-2-carboxamide?
1-(6-chloro-2-pyridinyl)-N-methylpiperidine-2-carboxamide has a molecular weight of 253.73 g/mol, XLogP of 1.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-2-pyridinyl)-N-methylpiperidine-2-carboxamide is sourced from PubChem (CID 63585985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).