2-chloro-N-(2,3-dimethylcyclopentyl)-6-methylpyridine-4-carboxamide

C14H19ClN2O — CID 113378456

IUPAC2-chloro-N-(2,3-dimethylcyclopentyl)-6-methylpyridine-4-carboxamide
SMILESCc1cc(C(=O)NC2CCC(C)C2C)cc(Cl)n1
InChIInChI=1S/C14H19ClN2O/c1-8-4-5-12(10(8)3)17-14(18)11-6-9(2)16-13(15)7-11/h6-8,10,12H,4-5H2,1-3H3,(H,17,18)
InChIKeyCHTVIVWTULAKKN-UHFFFAOYSA-N
MW266.77 g/mol
LogP3.21
Rot. Bonds2

About 2-chloro-N-(2,3-dimethylcyclopentyl)-6-methylpyridine-4-carboxamide

2-chloro-N-(2,3-dimethylcyclopentyl)-6-methylpyridine-4-carboxamide (PubChem CID 113378456) has the molecular formula C14H19ClN2O and a molecular weight of 266.77 g/mol. Its IUPAC name is 2-chloro-N-(2,3-dimethylcyclopentyl)-6-methylpyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(2,3-dimethylcyclopentyl)-6-methylpyridine-4-carboxamide
PubChem CID113378456
Molecular FormulaC14H19ClN2O
Molecular Weight266.77 g/mol
Exact Mass266.12
IUPAC Name2-chloro-N-(2,3-dimethylcyclopentyl)-6-methylpyridine-4-carboxamide
SMILESCc1cc(C(=O)NC2CCC(C)C2C)cc(Cl)n1
InChIInChI=1S/C14H19ClN2O/c1-8-4-5-12(10(8)3)17-14(18)11-6-9(2)16-13(15)7-11/h6-8,10,12H,4-5H2,1-3H3,(H,17,18)
InChIKeyCHTVIVWTULAKKN-UHFFFAOYSA-N
XLogP3.21
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.77
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-(2,2-dimethyloxan-4-yl)-6-methylpyridine-4-carboxamide
CID 113378498
2-chloro-6-methyl-N-(1-methyl-2-oxopyrrolidin-3-yl)pyridine-4-carboxamide
CID 104952562
2-chloro-6-methyl-N-[(2-methylcyclopentyl)methyl]pyridine-4-carboxamide
CID 107417821
2-amino-6-chloro-N-(2-methylcyclopentyl)pyridine-4-carboxamide
CID 63279653
2-chloro-6-methyl-N-(2-oxopiperidin-3-yl)pyridine-4-carboxamide
CID 113378415
2-chloro-6-hydrazinyl-N-(2-methylcyclohexyl)pyridine-4-carboxamide
CID 62248861
2-chloro-N-ethyl-6-methylpyridine-4-carboxamide
CID 89150895
2-chloro-6-methyl-N-[(2-methyloxolan-3-yl)methyl]pyridine-4-carboxamide
CID 114105394
2,6-dichloro-N-(3-methylcyclopentyl)pyridine-4-carboxamide
CID 114545578
2-chloro-N-(2-cyclohexylethyl)-6-methylpyridine-4-carboxamide
CID 113378333
2-chloro-6-methyl-N-[2-(oxan-2-yl)ethyl]pyridine-4-carboxamide
CID 104952816
tert-butyl N-[(2-chloro-6-methylpyridine-4-carbonyl)amino]carbamate
CID 122621219

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2,3-dimethylcyclopentyl)-6-methylpyridine-4-carboxamide?
The IUPAC name of 2-chloro-N-(2,3-dimethylcyclopentyl)-6-methylpyridine-4-carboxamide (CID 113378456) is 2-chloro-N-(2,3-dimethylcyclopentyl)-6-methylpyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-N-(2,3-dimethylcyclopentyl)-6-methylpyridine-4-carboxamide?
The canonical SMILES for 2-chloro-N-(2,3-dimethylcyclopentyl)-6-methylpyridine-4-carboxamide is Cc1cc(C(=O)NC2CCC(C)C2C)cc(Cl)n1.
What is the InChIKey of 2-chloro-N-(2,3-dimethylcyclopentyl)-6-methylpyridine-4-carboxamide?
The InChIKey is CHTVIVWTULAKKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O/c1-8-4-5-12(10(8)3)17-14(18)11-6-9(2)16-13(15)7-11/h6-8,10,12H,4-5H2,1-3H3,(H,17,18).
What are the key properties of 2-chloro-N-(2,3-dimethylcyclopentyl)-6-methylpyridine-4-carboxamide?
2-chloro-N-(2,3-dimethylcyclopentyl)-6-methylpyridine-4-carboxamide has a molecular weight of 266.77 g/mol, XLogP of 3.21, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2,3-dimethylcyclopentyl)-6-methylpyridine-4-carboxamide is sourced from PubChem (CID 113378456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).