N-(5-chloro-2-pyridinyl)-4-methylpiperidine-2-carboxamide

C12H16ClN3O — CID 114422738

IUPACN-(5-chloro-2-pyridinyl)-4-methylpiperidine-2-carboxamide
SMILESCC1CCNC(C(=O)Nc2ccc(Cl)cn2)C1
InChIInChI=1S/C12H16ClN3O/c1-8-4-5-14-10(6-8)12(17)16-11-3-2-9(13)7-15-11/h2-3,7-8,10,14H,4-6H2,1H3,(H,15,16,17)
InChIKeySHIOAYJCEUQXKN-UHFFFAOYSA-N
MW253.73 g/mol
LogP2.06
Rot. Bonds2

About N-(5-chloro-2-pyridinyl)-4-methylpiperidine-2-carboxamide

N-(5-chloro-2-pyridinyl)-4-methylpiperidine-2-carboxamide (PubChem CID 114422738) has the molecular formula C12H16ClN3O and a molecular weight of 253.73 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-4-methylpiperidine-2-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-4-methylpiperidine-2-carboxamide
PubChem CID114422738
Molecular FormulaC12H16ClN3O
Molecular Weight253.73 g/mol
Exact Mass253.10
IUPAC NameN-(5-chloro-2-pyridinyl)-4-methylpiperidine-2-carboxamide
SMILESCC1CCNC(C(=O)Nc2ccc(Cl)cn2)C1
InChIInChI=1S/C12H16ClN3O/c1-8-4-5-14-10(6-8)12(17)16-11-3-2-9(13)7-15-11/h2-3,7-8,10,14H,4-6H2,1H3,(H,15,16,17)
InChIKeySHIOAYJCEUQXKN-UHFFFAOYSA-N
XLogP2.06
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.73
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(5-chloro-2-pyridinyl)-4-methylpiperidine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-N-(5-chloro-2-pyridinyl)pyrrolidine-2-carboxamide
CID 24749623
4-methyl-N-(1,2-oxazol-3-yl)piperidine-2-carboxamide
CID 114423957
N-(5-chloro-2-pyridinyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 76892365
(3S)-N-(5-chloro-2-pyridinyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 28893634
4-ethyl-N-(5-fluoro-2-pyridinyl)piperidine-2-carboxamide
CID 114429180
N-(5-chloro-2-cyanophenyl)-4-methylpiperidine-2-carboxamide
CID 114422973
4-methyl-N-quinoxalin-6-ylpiperidine-2-carboxamide
CID 114423238
N-(5-chloro-2-pyridinyl)-2-[methyl-(4-methylcyclohexyl)amino]acetamide
CID 47118067
N-(4-cyanophenyl)-4-methylpiperidine-2-carboxamide
CID 114422665
4-methyl-N-(4-methylsulfanylphenyl)piperidine-2-carboxamide
CID 114422593
N-(2-chloro-4,6-difluorophenyl)-4-methylpiperidine-2-carboxamide
CID 114424428
4-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-2-carboxamide
CID 114424585

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-4-methylpiperidine-2-carboxamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-4-methylpiperidine-2-carboxamide (CID 114422738) is N-(5-chloro-2-pyridinyl)-4-methylpiperidine-2-carboxamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-4-methylpiperidine-2-carboxamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-4-methylpiperidine-2-carboxamide is CC1CCNC(C(=O)Nc2ccc(Cl)cn2)C1.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-4-methylpiperidine-2-carboxamide?
The InChIKey is SHIOAYJCEUQXKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3O/c1-8-4-5-14-10(6-8)12(17)16-11-3-2-9(13)7-15-11/h2-3,7-8,10,14H,4-6H2,1H3,(H,15,16,17).
What are the key properties of N-(5-chloro-2-pyridinyl)-4-methylpiperidine-2-carboxamide?
N-(5-chloro-2-pyridinyl)-4-methylpiperidine-2-carboxamide has a molecular weight of 253.73 g/mol, XLogP of 2.06, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-4-methylpiperidine-2-carboxamide is sourced from PubChem (CID 114422738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).