6-chloro-N-(1,3-dimethylpiperidin-4-yl)pyridine-2-carboxamide

C13H18ClN3O — CID 115600288

IUPAC6-chloro-N-(1,3-dimethylpiperidin-4-yl)pyridine-2-carboxamide
SMILESCC1CN(C)CCC1NC(=O)c1cccc(Cl)n1
InChIInChI=1S/C13H18ClN3O/c1-9-8-17(2)7-6-10(9)16-13(18)11-4-3-5-12(14)15-11/h3-5,9-10H,6-8H2,1-2H3,(H,16,18)
InChIKeyZQCXKDAINKKPFP-UHFFFAOYSA-N
MW267.76 g/mol
LogP1.80
Rot. Bonds2

About 6-chloro-N-(1,3-dimethylpiperidin-4-yl)pyridine-2-carboxamide

6-chloro-N-(1,3-dimethylpiperidin-4-yl)pyridine-2-carboxamide (PubChem CID 115600288) has the molecular formula C13H18ClN3O and a molecular weight of 267.76 g/mol. Its IUPAC name is 6-chloro-N-(1,3-dimethylpiperidin-4-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-chloro-N-(1,3-dimethylpiperidin-4-yl)pyridine-2-carboxamide
PubChem CID115600288
Molecular FormulaC13H18ClN3O
Molecular Weight267.76 g/mol
Exact Mass267.11
IUPAC Name6-chloro-N-(1,3-dimethylpiperidin-4-yl)pyridine-2-carboxamide
SMILESCC1CN(C)CCC1NC(=O)c1cccc(Cl)n1
InChIInChI=1S/C13H18ClN3O/c1-9-8-17(2)7-6-10(9)16-13(18)11-4-3-5-12(14)15-11/h3-5,9-10H,6-8H2,1-2H3,(H,16,18)
InChIKeyZQCXKDAINKKPFP-UHFFFAOYSA-N
XLogP1.80
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 ≤ 51.80
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

N-(1,3-dimethylpiperidin-4-yl)-6-hydrazinylpyridine-2-carboxamide
CID 114505987
N-(1,3-dimethylpiperidin-4-yl)-2,3-dihydroxybenzamide
CID 114504406
N-(1,3-dimethylpiperidin-4-yl)-4-sulfanylbenzamide
CID 107036333
6-chloro-N-cyclobutylpyridine-2-carboxamide
CID 62416543
6-chloro-N-(1-cyclopropylpyrrolidin-3-yl)pyridine-2-carboxamide
CID 62233324
6-chloro-N-(4-ethylcyclohexyl)pyridine-2-carboxamide
CID 62232953
N-(1,3-dimethylpiperidin-4-yl)-3-fluoro-2-(methylamino)benzamide
CID 114505924
6-chloro-N-(2-cyanocyclopentyl)pyridine-2-carboxamide
CID 62961274
N-(1,3-dimethylpiperidin-4-yl)-2-(2-hydroxyphenyl)acetamide
CID 115603667
6-[(2,4-dimethylcyclohexyl)carbamoyl]pyridine-2-carboxylic acid
CID 63997792
N-(1,3-dimethylpiperidin-4-yl)-3H-benzimidazole-5-carboxamide
CID 18723319
6-methyl-N-[(1R,2R)-2-methylcyclohexyl]pyridine-2-carboxamide
CID 31825212

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(1,3-dimethylpiperidin-4-yl)pyridine-2-carboxamide?
The IUPAC name of 6-chloro-N-(1,3-dimethylpiperidin-4-yl)pyridine-2-carboxamide (CID 115600288) is 6-chloro-N-(1,3-dimethylpiperidin-4-yl)pyridine-2-carboxamide.
What is the SMILES notation for 6-chloro-N-(1,3-dimethylpiperidin-4-yl)pyridine-2-carboxamide?
The canonical SMILES for 6-chloro-N-(1,3-dimethylpiperidin-4-yl)pyridine-2-carboxamide is CC1CN(C)CCC1NC(=O)c1cccc(Cl)n1.
What is the InChIKey of 6-chloro-N-(1,3-dimethylpiperidin-4-yl)pyridine-2-carboxamide?
The InChIKey is ZQCXKDAINKKPFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O/c1-9-8-17(2)7-6-10(9)16-13(18)11-4-3-5-12(14)15-11/h3-5,9-10H,6-8H2,1-2H3,(H,16,18).
What are the key properties of 6-chloro-N-(1,3-dimethylpiperidin-4-yl)pyridine-2-carboxamide?
6-chloro-N-(1,3-dimethylpiperidin-4-yl)pyridine-2-carboxamide has a molecular weight of 267.76 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(1,3-dimethylpiperidin-4-yl)pyridine-2-carboxamide is sourced from PubChem (CID 115600288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).