N-(2-chloro-4-methyl-3-pyridinyl)piperidine-3-carboxamide

C12H16ClN3O — CID 65490081

IUPACN-(2-chloro-4-methyl-3-pyridinyl)piperidine-3-carboxamide
SMILESCc1ccnc(Cl)c1NC(=O)C1CCCNC1
InChIInChI=1S/C12H16ClN3O/c1-8-4-6-15-11(13)10(8)16-12(17)9-3-2-5-14-7-9/h4,6,9,14H,2-3,5,7H2,1H3,(H,16,17)
InChIKeyMUJNPNKPLCLDHF-UHFFFAOYSA-N
MW253.73 g/mol
LogP1.98
Rot. Bonds2

About N-(2-chloro-4-methyl-3-pyridinyl)piperidine-3-carboxamide

N-(2-chloro-4-methyl-3-pyridinyl)piperidine-3-carboxamide (PubChem CID 65490081) has the molecular formula C12H16ClN3O and a molecular weight of 253.73 g/mol. Its IUPAC name is N-(2-chloro-4-methyl-3-pyridinyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-4-methyl-3-pyridinyl)piperidine-3-carboxamide
PubChem CID65490081
Molecular FormulaC12H16ClN3O
Molecular Weight253.73 g/mol
Exact Mass253.10
IUPAC NameN-(2-chloro-4-methyl-3-pyridinyl)piperidine-3-carboxamide
SMILESCc1ccnc(Cl)c1NC(=O)C1CCCNC1
InChIInChI=1S/C12H16ClN3O/c1-8-4-6-15-11(13)10(8)16-12(17)9-3-2-5-14-7-9/h4,6,9,14H,2-3,5,7H2,1H3,(H,16,17)
InChIKeyMUJNPNKPLCLDHF-UHFFFAOYSA-N
XLogP1.98
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 ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(2-chloro-4-methyl-3-pyridinyl)piperidine-3-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

(3R)-N-(4,6-dichloropyrimidin-5-yl)piperidine-3-carboxamide
CID 114074295
N-(2-chloro-4-methyl-3-pyridinyl)-1,1-dioxothiolane-3-carboxamide
CID 103696096
N-(2-methyl-6-propan-2-ylphenyl)piperidine-3-carboxamide;hydrochloride
CID 119263416
(3S)-N-(4-bromo-2,6-dimethylphenyl)piperidine-3-carboxamide
CID 28562759
5-chloro-3-methyl-2-(piperidine-3-carbonylamino)benzoic acid
CID 142738187
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperidine-3-carboxamide
CID 119275721
N-(6-chloro-3-pyridinyl)piperidine-3-carboxamide
CID 81426071
N-(2,4-dimethyl-3-pyridinyl)cyclopropanecarboxamide
CID 130527162
N-(2,3,4-trimethylphenyl)piperidine-3-carboxamide
CID 115159866
methyl 4-methyl-3-(piperidine-3-carbonylamino)thiophene-2-carboxylate
CID 114915597
(3R)-N-(1H-imidazol-2-yl)piperidine-3-carboxamide
CID 81139688
3-amino-N-(2,4-dimethyl-3-pyridinyl)cyclohexane-1-carboxamide
CID 112741900

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-methyl-3-pyridinyl)piperidine-3-carboxamide?
The IUPAC name of N-(2-chloro-4-methyl-3-pyridinyl)piperidine-3-carboxamide (CID 65490081) is N-(2-chloro-4-methyl-3-pyridinyl)piperidine-3-carboxamide.
What is the SMILES notation for N-(2-chloro-4-methyl-3-pyridinyl)piperidine-3-carboxamide?
The canonical SMILES for N-(2-chloro-4-methyl-3-pyridinyl)piperidine-3-carboxamide is Cc1ccnc(Cl)c1NC(=O)C1CCCNC1.
What is the InChIKey of N-(2-chloro-4-methyl-3-pyridinyl)piperidine-3-carboxamide?
The InChIKey is MUJNPNKPLCLDHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3O/c1-8-4-6-15-11(13)10(8)16-12(17)9-3-2-5-14-7-9/h4,6,9,14H,2-3,5,7H2,1H3,(H,16,17).
What are the key properties of N-(2-chloro-4-methyl-3-pyridinyl)piperidine-3-carboxamide?
N-(2-chloro-4-methyl-3-pyridinyl)piperidine-3-carboxamide has a molecular weight of 253.73 g/mol, XLogP of 1.98, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-methyl-3-pyridinyl)piperidine-3-carboxamide is sourced from PubChem (CID 65490081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).