N-(6-chloro-4-methyl-3-pyridinyl)piperidine-4-carboxamide

C12H16ClN3O — CID 113264161

IUPACN-(6-chloro-4-methyl-3-pyridinyl)piperidine-4-carboxamide
SMILESCc1cc(Cl)ncc1NC(=O)C1CCNCC1
InChIInChI=1S/C12H16ClN3O/c1-8-6-11(13)15-7-10(8)16-12(17)9-2-4-14-5-3-9/h6-7,9,14H,2-5H2,1H3,(H,16,17)
InChIKeyRYMOYTAKBOKCPF-UHFFFAOYSA-N
MW253.73 g/mol
LogP1.98
Rot. Bonds2

About N-(6-chloro-4-methyl-3-pyridinyl)piperidine-4-carboxamide

N-(6-chloro-4-methyl-3-pyridinyl)piperidine-4-carboxamide (PubChem CID 113264161) has the molecular formula C12H16ClN3O and a molecular weight of 253.73 g/mol. Its IUPAC name is N-(6-chloro-4-methyl-3-pyridinyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(6-chloro-4-methyl-3-pyridinyl)piperidine-4-carboxamide
PubChem CID113264161
Molecular FormulaC12H16ClN3O
Molecular Weight253.73 g/mol
Exact Mass253.10
IUPAC NameN-(6-chloro-4-methyl-3-pyridinyl)piperidine-4-carboxamide
SMILESCc1cc(Cl)ncc1NC(=O)C1CCNCC1
InChIInChI=1S/C12H16ClN3O/c1-8-6-11(13)15-7-10(8)16-12(17)9-2-4-14-5-3-9/h6-7,9,14H,2-5H2,1H3,(H,16,17)
InChIKeyRYMOYTAKBOKCPF-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'}

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Related Compounds

N-(6-chloro-4-methyl-3-pyridinyl)morpholine-3-carboxamide
CID 113266715
N-(3-methyl-4-pyridinyl)piperidine-4-carboxamide
CID 63670702
N-(2,5-dimethylphenyl)piperidine-4-carboxamide
CID 18073176
N-(2-chloro-4-methylphenyl)piperidine-4-carboxamide;hydrochloride
CID 119262646
N-[4-methyl-6-(propanoylamino)-3-pyridinyl]cyclopropanecarboxamide
CID 1452755
N-(4-carbamoyl-2-methylphenyl)piperidine-4-carboxamide
CID 43706641
N-(6-chloro-4-methyl-3-pyridinyl)-3-ethylpyrrolidine-3-carboxamide
CID 113286068
N-(2,3-dimethylphenyl)piperidine-4-carboxamide;hydrochloride
CID 119261898
(2S)-2-amino-N-(6-chloro-4-methyl-3-pyridinyl)-3-cyclopropylpropanamide
CID 112735488
N-[4-methyl-5-(methylamino)-2-pyridinyl]cyclopropanecarboxamide
CID 167023085
N-(5-chloropyrimidin-4-yl)piperidine-4-carboxamide
CID 142787332
1-(6-chloro-4-methyl-3-pyridinyl)-3-(1-cyclobutylcyclobutyl)urea
CID 146092371

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-4-methyl-3-pyridinyl)piperidine-4-carboxamide?
The IUPAC name of N-(6-chloro-4-methyl-3-pyridinyl)piperidine-4-carboxamide (CID 113264161) is N-(6-chloro-4-methyl-3-pyridinyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(6-chloro-4-methyl-3-pyridinyl)piperidine-4-carboxamide?
The canonical SMILES for N-(6-chloro-4-methyl-3-pyridinyl)piperidine-4-carboxamide is Cc1cc(Cl)ncc1NC(=O)C1CCNCC1.
What is the InChIKey of N-(6-chloro-4-methyl-3-pyridinyl)piperidine-4-carboxamide?
The InChIKey is RYMOYTAKBOKCPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3O/c1-8-6-11(13)15-7-10(8)16-12(17)9-2-4-14-5-3-9/h6-7,9,14H,2-5H2,1H3,(H,16,17).
What are the key properties of N-(6-chloro-4-methyl-3-pyridinyl)piperidine-4-carboxamide?
N-(6-chloro-4-methyl-3-pyridinyl)piperidine-4-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-(6-chloro-4-methyl-3-pyridinyl)piperidine-4-carboxamide is sourced from PubChem (CID 113264161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).