2-chloro-N-(2,6-dimethylpiperidin-1-yl)pyridine-3-carboxamide

C13H18ClN3O — CID 78907835

IUPAC2-chloro-N-(2,6-dimethylpiperidin-1-yl)pyridine-3-carboxamide
SMILESCC1CCCC(C)N1NC(=O)c1cccnc1Cl
InChIInChI=1S/C13H18ClN3O/c1-9-5-3-6-10(2)17(9)16-13(18)11-7-4-8-15-12(11)14/h4,7-10H,3,5-6H2,1-2H3,(H,16,18)
InChIKeyPKHACUGBDMWGRS-UHFFFAOYSA-N
MW267.76 g/mol
LogP2.64
Rot. Bonds2

About 2-chloro-N-(2,6-dimethylpiperidin-1-yl)pyridine-3-carboxamide

2-chloro-N-(2,6-dimethylpiperidin-1-yl)pyridine-3-carboxamide (PubChem CID 78907835) has the molecular formula C13H18ClN3O and a molecular weight of 267.76 g/mol. Its IUPAC name is 2-chloro-N-(2,6-dimethylpiperidin-1-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(2,6-dimethylpiperidin-1-yl)pyridine-3-carboxamide
PubChem CID78907835
Molecular FormulaC13H18ClN3O
Molecular Weight267.76 g/mol
Exact Mass267.11
IUPAC Name2-chloro-N-(2,6-dimethylpiperidin-1-yl)pyridine-3-carboxamide
SMILESCC1CCCC(C)N1NC(=O)c1cccnc1Cl
InChIInChI=1S/C13H18ClN3O/c1-9-5-3-6-10(2)17(9)16-13(18)11-7-4-8-15-12(11)14/h4,7-10H,3,5-6H2,1-2H3,(H,16,18)
InChIKeyPKHACUGBDMWGRS-UHFFFAOYSA-N
XLogP2.64
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-3-chloro-N-(2,6-dimethylpiperidin-1-yl)benzamide
CID 83013273
2-chloro-N-[4-[(2S)-2-methylpiperidin-1-yl]phenyl]pyridine-3-carboxamide
CID 40922123
2-chloro-N-(4-methylcycloheptyl)pyridine-3-carboxamide
CID 102796878
2-chloro-N-(4-methylcyclohexyl)pyridine-3-carboxamide
CID 21487786
5-chloro-N-(2,6-dimethylpiperidin-1-yl)-2-hydroxybenzamide
CID 115279907
2-amino-N-(2,6-dimethylpiperidin-1-yl)-3-fluoropyridine-4-carboxamide
CID 105387166
N-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide
CID 59373973
N-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide
CID 59373977
2,6-dichloro-N-(2,6-dimethylpiperidin-1-yl)pyridine-4-carboxamide
CID 78907821
N-(2,6-dimethylpiperidin-1-yl)-3-fluoro-2-hydrazinylpyridine-4-carboxamide
CID 105388549
N-acetyl-2-chloropyridine-3-carboxamide
CID 61215997
N-(2,6-dimethylpiperidin-1-yl)-1H-pyrazole-5-carboxamide
CID 141156891

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2,6-dimethylpiperidin-1-yl)pyridine-3-carboxamide?
The IUPAC name of 2-chloro-N-(2,6-dimethylpiperidin-1-yl)pyridine-3-carboxamide (CID 78907835) is 2-chloro-N-(2,6-dimethylpiperidin-1-yl)pyridine-3-carboxamide.
What is the SMILES notation for 2-chloro-N-(2,6-dimethylpiperidin-1-yl)pyridine-3-carboxamide?
The canonical SMILES for 2-chloro-N-(2,6-dimethylpiperidin-1-yl)pyridine-3-carboxamide is CC1CCCC(C)N1NC(=O)c1cccnc1Cl.
What is the InChIKey of 2-chloro-N-(2,6-dimethylpiperidin-1-yl)pyridine-3-carboxamide?
The InChIKey is PKHACUGBDMWGRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O/c1-9-5-3-6-10(2)17(9)16-13(18)11-7-4-8-15-12(11)14/h4,7-10H,3,5-6H2,1-2H3,(H,16,18).
What are the key properties of 2-chloro-N-(2,6-dimethylpiperidin-1-yl)pyridine-3-carboxamide?
2-chloro-N-(2,6-dimethylpiperidin-1-yl)pyridine-3-carboxamide has a molecular weight of 267.76 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2,6-dimethylpiperidin-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 78907835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).