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

C13H18ClN3O — CID 79005580

IUPAC4-chloro-N-(1,2-dimethylpiperidin-4-yl)pyridine-2-carboxamide
SMILESCC1CC(NC(=O)c2cc(Cl)ccn2)CCN1C
InChIInChI=1S/C13H18ClN3O/c1-9-7-11(4-6-17(9)2)16-13(18)12-8-10(14)3-5-15-12/h3,5,8-9,11H,4,6-7H2,1-2H3,(H,16,18)
InChIKeyKLDZFMAYHWLHOC-UHFFFAOYSA-N
MW267.76 g/mol
LogP1.95
Rot. Bonds2

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

4-chloro-N-(1,2-dimethylpiperidin-4-yl)pyridine-2-carboxamide (PubChem CID 79005580) has the molecular formula C13H18ClN3O and a molecular weight of 267.76 g/mol. Its IUPAC name is 4-chloro-N-(1,2-dimethylpiperidin-4-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-chloro-N-(1,2-dimethylpiperidin-4-yl)pyridine-2-carboxamide
PubChem CID79005580
Molecular FormulaC13H18ClN3O
Molecular Weight267.76 g/mol
Exact Mass267.11
IUPAC Name4-chloro-N-(1,2-dimethylpiperidin-4-yl)pyridine-2-carboxamide
SMILESCC1CC(NC(=O)c2cc(Cl)ccn2)CCN1C
InChIInChI=1S/C13H18ClN3O/c1-9-7-11(4-6-17(9)2)16-13(18)12-8-10(14)3-5-15-12/h3,5,8-9,11H,4,6-7H2,1-2H3,(H,16,18)
InChIKeyKLDZFMAYHWLHOC-UHFFFAOYSA-N
XLogP1.95
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 ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-(3-methylcyclohexyl)pyridine-2-carboxamide
CID 43244106
4-chloro-N-[1-(2-methylpropanoyl)piperidin-4-yl]pyridine-2-carboxamide
CID 32584074
4-chloro-N-(3-methylsulfanylcyclopentyl)pyridine-2-carboxamide
CID 103708467
2,6-dichloro-N-(1,2-dimethylpiperidin-4-yl)pyridine-4-carboxamide
CID 79005722
4-chloro-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]pyridine-2-carboxamide
CID 86991925
4-chloro-N-(1-methyl-6-oxopiperidin-3-yl)pyridine-2-carboxamide
CID 64669402
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-4-chloropyridine-2-carboxamide
CID 60707818
4-chloro-N-cyclopent-3-en-1-ylpyridine-2-carboxamide
CID 115696706
N-[(3R)-1-benzylpyrrolidin-3-yl]-4-chloropyridine-2-carboxamide
CID 9488581
4-chloro-N-(2-methyloxolan-3-yl)pyridine-2-carboxamide
CID 82725262
4-chloro-N-hydroxypyridine-2-carboxamide
CID 83381234
3,5-dibromo-N-(1,2-dimethylpiperidin-4-yl)benzamide
CID 103908813

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(1,2-dimethylpiperidin-4-yl)pyridine-2-carboxamide?
The IUPAC name of 4-chloro-N-(1,2-dimethylpiperidin-4-yl)pyridine-2-carboxamide (CID 79005580) is 4-chloro-N-(1,2-dimethylpiperidin-4-yl)pyridine-2-carboxamide.
What is the SMILES notation for 4-chloro-N-(1,2-dimethylpiperidin-4-yl)pyridine-2-carboxamide?
The canonical SMILES for 4-chloro-N-(1,2-dimethylpiperidin-4-yl)pyridine-2-carboxamide is CC1CC(NC(=O)c2cc(Cl)ccn2)CCN1C.
What is the InChIKey of 4-chloro-N-(1,2-dimethylpiperidin-4-yl)pyridine-2-carboxamide?
The InChIKey is KLDZFMAYHWLHOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O/c1-9-7-11(4-6-17(9)2)16-13(18)12-8-10(14)3-5-15-12/h3,5,8-9,11H,4,6-7H2,1-2H3,(H,16,18).
What are the key properties of 4-chloro-N-(1,2-dimethylpiperidin-4-yl)pyridine-2-carboxamide?
4-chloro-N-(1,2-dimethylpiperidin-4-yl)pyridine-2-carboxamide has a molecular weight of 267.76 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(1,2-dimethylpiperidin-4-yl)pyridine-2-carboxamide is sourced from PubChem (CID 79005580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).