N-(3-chloro-2-pyridinyl)-2-methylpiperidine-4-carboxamide

C12H16ClN3O — CID 106740789

IUPACN-(3-chloro-2-pyridinyl)-2-methylpiperidine-4-carboxamide
SMILESCC1CC(C(=O)Nc2ncccc2Cl)CCN1
InChIInChI=1S/C12H16ClN3O/c1-8-7-9(4-6-14-8)12(17)16-11-10(13)3-2-5-15-11/h2-3,5,8-9,14H,4,6-7H2,1H3,(H,15,16,17)
InChIKeyXTZXTQSRSIPWLT-UHFFFAOYSA-N
MW253.73 g/mol
LogP2.06
Rot. Bonds2

About N-(3-chloro-2-pyridinyl)-2-methylpiperidine-4-carboxamide

N-(3-chloro-2-pyridinyl)-2-methylpiperidine-4-carboxamide (PubChem CID 106740789) has the molecular formula C12H16ClN3O and a molecular weight of 253.73 g/mol. Its IUPAC name is N-(3-chloro-2-pyridinyl)-2-methylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-2-pyridinyl)-2-methylpiperidine-4-carboxamide
PubChem CID106740789
Molecular FormulaC12H16ClN3O
Molecular Weight253.73 g/mol
Exact Mass253.10
IUPAC NameN-(3-chloro-2-pyridinyl)-2-methylpiperidine-4-carboxamide
SMILESCC1CC(C(=O)Nc2ncccc2Cl)CCN1
InChIInChI=1S/C12H16ClN3O/c1-8-7-9(4-6-14-8)12(17)16-11-10(13)3-2-5-15-11/h2-3,5,8-9,14H,4,6-7H2,1H3,(H,15,16,17)
InChIKeyXTZXTQSRSIPWLT-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-(3-chloro-2-pyridinyl)-2-methylpiperidine-4-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,4S)-2-methyl-N-(3-methyl-2-pyridinyl)piperidine-4-carboxamide;hydrochloride
CID 120631492
N-(3,4-dichlorophenyl)-2-methylpiperidine-4-carboxamide
CID 106738581
(2S,4S)-N-(7-chloro-1H-indazol-3-yl)-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120640385
(2S,4S)-2-methyl-N-quinolin-8-ylpiperidine-4-carboxamide;hydrochloride
CID 120631987
4-[(3-chloro-2-pyridinyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 103094698
(2S,4S)-N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-2-methylpiperidine-4-carboxamide
CID 120634640
N-(2,6-dichloro-3-methylphenyl)-2-methylpiperidine-4-carboxamide
CID 106738532
(2S,4S)-N-(4-chloro-3-fluorophenyl)-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120620459
(2S,4S)-N-[4-(cyclopropanecarbonylamino)phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120619530
(2S,4S)-N-(2-hydroxyphenyl)-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120631829
(2S,4S)-N-(3-acetamidophenyl)-2-methylpiperidine-4-carboxamide
CID 120616198
N-(4-chloro-2-methylphenyl)-2-methylpiperidine-4-carboxamide
CID 106738674

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-pyridinyl)-2-methylpiperidine-4-carboxamide?
The IUPAC name of N-(3-chloro-2-pyridinyl)-2-methylpiperidine-4-carboxamide (CID 106740789) is N-(3-chloro-2-pyridinyl)-2-methylpiperidine-4-carboxamide.
What is the SMILES notation for N-(3-chloro-2-pyridinyl)-2-methylpiperidine-4-carboxamide?
The canonical SMILES for N-(3-chloro-2-pyridinyl)-2-methylpiperidine-4-carboxamide is CC1CC(C(=O)Nc2ncccc2Cl)CCN1.
What is the InChIKey of N-(3-chloro-2-pyridinyl)-2-methylpiperidine-4-carboxamide?
The InChIKey is XTZXTQSRSIPWLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3O/c1-8-7-9(4-6-14-8)12(17)16-11-10(13)3-2-5-15-11/h2-3,5,8-9,14H,4,6-7H2,1H3,(H,15,16,17).
What are the key properties of N-(3-chloro-2-pyridinyl)-2-methylpiperidine-4-carboxamide?
N-(3-chloro-2-pyridinyl)-2-methylpiperidine-4-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-(3-chloro-2-pyridinyl)-2-methylpiperidine-4-carboxamide is sourced from PubChem (CID 106740789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).