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

C12H16ClN3O — CID 114423016

IUPACN-(2-chloro-3-pyridinyl)-4-methylpiperidine-2-carboxamide
SMILESCC1CCNC(C(=O)Nc2cccnc2Cl)C1
InChIInChI=1S/C12H16ClN3O/c1-8-4-6-14-10(7-8)12(17)16-9-3-2-5-15-11(9)13/h2-3,5,8,10,14H,4,6-7H2,1H3,(H,16,17)
InChIKeyHSRAFRVKENFAJI-UHFFFAOYSA-N
MW253.73 g/mol
LogP2.06
Rot. Bonds2

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

N-(2-chloro-3-pyridinyl)-4-methylpiperidine-2-carboxamide (PubChem CID 114423016) has the molecular formula C12H16ClN3O and a molecular weight of 253.73 g/mol. Its IUPAC name is N-(2-chloro-3-pyridinyl)-4-methylpiperidine-2-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-3-pyridinyl)-4-methylpiperidine-2-carboxamide
PubChem CID114423016
Molecular FormulaC12H16ClN3O
Molecular Weight253.73 g/mol
Exact Mass253.10
IUPAC NameN-(2-chloro-3-pyridinyl)-4-methylpiperidine-2-carboxamide
SMILESCC1CCNC(C(=O)Nc2cccnc2Cl)C1
InChIInChI=1S/C12H16ClN3O/c1-8-4-6-14-10(7-8)12(17)16-9-3-2-5-15-11(9)13/h2-3,5,8,10,14H,4,6-7H2,1H3,(H,16,17)
InChIKeyHSRAFRVKENFAJI-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

Computed Properties (RDKit)

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

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Related Compounds

N-(2-chloro-3-pyridinyl)-2-methylpyrrolidine-3-carboxamide
CID 79388659
4-methyl-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]piperidine-2-carboxamide
CID 114423652
4-methyl-N-quinolin-6-ylpiperidine-2-carboxamide
CID 114423932
4-methyl-N-[2-(trifluoromethyl)phenyl]piperidine-2-carboxamide
CID 114422580
4-methyl-N-(6-methyl-3-pyridinyl)piperidine-2-carboxamide
CID 114424331
N-(1H-indazol-4-yl)-4-methylpiperidine-2-carboxamide
CID 114423269
N-(5-chloro-2-pyridinyl)-4-methylpiperidine-2-carboxamide
CID 114422738
4-methyl-N-quinoxalin-6-ylpiperidine-2-carboxamide
CID 114423238
(1R,2R,4R)-N-(2-chloro-3-pyridinyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 98296679
(1R,2S,4S)-N-(2-chloro-3-pyridinyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 40605958
N-(4-iodo-2-methylphenyl)-4-methylpiperidine-2-carboxamide
CID 114423070
N-(5-chloro-2-cyanophenyl)-4-methylpiperidine-2-carboxamide
CID 114422973

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-3-pyridinyl)-4-methylpiperidine-2-carboxamide?
The IUPAC name of N-(2-chloro-3-pyridinyl)-4-methylpiperidine-2-carboxamide (CID 114423016) is N-(2-chloro-3-pyridinyl)-4-methylpiperidine-2-carboxamide.
What is the SMILES notation for N-(2-chloro-3-pyridinyl)-4-methylpiperidine-2-carboxamide?
The canonical SMILES for N-(2-chloro-3-pyridinyl)-4-methylpiperidine-2-carboxamide is CC1CCNC(C(=O)Nc2cccnc2Cl)C1.
What is the InChIKey of N-(2-chloro-3-pyridinyl)-4-methylpiperidine-2-carboxamide?
The InChIKey is HSRAFRVKENFAJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3O/c1-8-4-6-14-10(7-8)12(17)16-9-3-2-5-15-11(9)13/h2-3,5,8,10,14H,4,6-7H2,1H3,(H,16,17).
What are the key properties of N-(2-chloro-3-pyridinyl)-4-methylpiperidine-2-carboxamide?
N-(2-chloro-3-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-(2-chloro-3-pyridinyl)-4-methylpiperidine-2-carboxamide is sourced from PubChem (CID 114423016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).