4-chloro-N-cyclopentyl-N,6-dimethylpyridine-3-carboxamide

C13H17ClN2O — CID 81225397

IUPAC4-chloro-N-cyclopentyl-N,6-dimethylpyridine-3-carboxamide
SMILESCc1cc(Cl)c(C(=O)N(C)C2CCCC2)cn1
InChIInChI=1S/C13H17ClN2O/c1-9-7-12(14)11(8-15-9)13(17)16(2)10-5-3-4-6-10/h7-8,10H,3-6H2,1-2H3
InChIKeyROVBWFAKQMPZSW-UHFFFAOYSA-N
MW252.74 g/mol
LogP3.06
Rot. Bonds2

About 4-chloro-N-cyclopentyl-N,6-dimethylpyridine-3-carboxamide

4-chloro-N-cyclopentyl-N,6-dimethylpyridine-3-carboxamide (PubChem CID 81225397) has the molecular formula C13H17ClN2O and a molecular weight of 252.74 g/mol. Its IUPAC name is 4-chloro-N-cyclopentyl-N,6-dimethylpyridine-3-carboxamide.

Molecular Properties

Compound Name4-chloro-N-cyclopentyl-N,6-dimethylpyridine-3-carboxamide
PubChem CID81225397
Molecular FormulaC13H17ClN2O
Molecular Weight252.74 g/mol
Exact Mass252.10
IUPAC Name4-chloro-N-cyclopentyl-N,6-dimethylpyridine-3-carboxamide
SMILESCc1cc(Cl)c(C(=O)N(C)C2CCCC2)cn1
InChIInChI=1S/C13H17ClN2O/c1-9-7-12(14)11(8-15-9)13(17)16(2)10-5-3-4-6-10/h7-8,10H,3-6H2,1-2H3
InChIKeyROVBWFAKQMPZSW-UHFFFAOYSA-N
XLogP3.06
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.74
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-N-ethyl-N,6-dimethylpyridine-3-carboxamide
CID 81225000
5-chloro-N-cyclopentyl-2-(ethylamino)-N-methylpyridine-4-carboxamide
CID 114922154
2-chloro-N-cycloheptyl-N-methylpyridine-3-carboxamide
CID 43409219
2-amino-3,5-dichloro-N-cyclohexyl-N-methylbenzamide
CID 69376073
4-chloro-N-(cyanomethyl)-N,6-dimethylpyridine-3-carboxamide
CID 103817245
4-chloro-N,6-dimethyl-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
CID 81226216
(4-chloro-6-methyl-3-pyridinyl)-(4-methylpiperidin-1-yl)methanone
CID 81225286
4-chloro-N-(cyclopropylmethyl)-6-methylpyridine-3-carboxamide
CID 81225290
4-chloro-6-methyl-N-[(2-methylcyclohexyl)methyl]pyridine-3-carboxamide
CID 81227209
4-chloro-N-ethyl-6-methyl-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 81226969
4-(ethylamino)-N,6-dimethyl-N-(4-methylcyclohexyl)pyridine-3-carboxamide
CID 81237067
4-amino-N,6-dimethyl-N-(2-methylcyclohexyl)pyridine-3-carboxamide
CID 81240095

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-cyclopentyl-N,6-dimethylpyridine-3-carboxamide?
The IUPAC name of 4-chloro-N-cyclopentyl-N,6-dimethylpyridine-3-carboxamide (CID 81225397) is 4-chloro-N-cyclopentyl-N,6-dimethylpyridine-3-carboxamide.
What is the SMILES notation for 4-chloro-N-cyclopentyl-N,6-dimethylpyridine-3-carboxamide?
The canonical SMILES for 4-chloro-N-cyclopentyl-N,6-dimethylpyridine-3-carboxamide is Cc1cc(Cl)c(C(=O)N(C)C2CCCC2)cn1.
What is the InChIKey of 4-chloro-N-cyclopentyl-N,6-dimethylpyridine-3-carboxamide?
The InChIKey is ROVBWFAKQMPZSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O/c1-9-7-12(14)11(8-15-9)13(17)16(2)10-5-3-4-6-10/h7-8,10H,3-6H2,1-2H3.
What are the key properties of 4-chloro-N-cyclopentyl-N,6-dimethylpyridine-3-carboxamide?
4-chloro-N-cyclopentyl-N,6-dimethylpyridine-3-carboxamide has a molecular weight of 252.74 g/mol, XLogP of 3.06, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-cyclopentyl-N,6-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 81225397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).