2-chloro-6-methyl-N-[(2-methylcyclopentyl)methyl]pyridine-4-carboxamide

C14H19ClN2O — CID 107417821

IUPAC2-chloro-6-methyl-N-[(2-methylcyclopentyl)methyl]pyridine-4-carboxamide
SMILESCc1cc(C(=O)NCC2CCCC2C)cc(Cl)n1
InChIInChI=1S/C14H19ClN2O/c1-9-4-3-5-11(9)8-16-14(18)12-6-10(2)17-13(15)7-12/h6-7,9,11H,3-5,8H2,1-2H3,(H,16,18)
InChIKeyGHYGBBASUQAMAB-UHFFFAOYSA-N
MW266.77 g/mol
LogP3.21
Rot. Bonds3

About 2-chloro-6-methyl-N-[(2-methylcyclopentyl)methyl]pyridine-4-carboxamide

2-chloro-6-methyl-N-[(2-methylcyclopentyl)methyl]pyridine-4-carboxamide (PubChem CID 107417821) has the molecular formula C14H19ClN2O and a molecular weight of 266.77 g/mol. Its IUPAC name is 2-chloro-6-methyl-N-[(2-methylcyclopentyl)methyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-6-methyl-N-[(2-methylcyclopentyl)methyl]pyridine-4-carboxamide
PubChem CID107417821
Molecular FormulaC14H19ClN2O
Molecular Weight266.77 g/mol
Exact Mass266.12
IUPAC Name2-chloro-6-methyl-N-[(2-methylcyclopentyl)methyl]pyridine-4-carboxamide
SMILESCc1cc(C(=O)NCC2CCCC2C)cc(Cl)n1
InChIInChI=1S/C14H19ClN2O/c1-9-4-3-5-11(9)8-16-14(18)12-6-10(2)17-13(15)7-12/h6-7,9,11H,3-5,8H2,1-2H3,(H,16,18)
InChIKeyGHYGBBASUQAMAB-UHFFFAOYSA-N
XLogP3.21
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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-methylcyclopentyl)methyl]pyridine-4-carboxamide
CID 107417784
2-(ethylamino)-6-methyl-N-[(2-methylcyclopentyl)methyl]pyridine-4-carboxamide
CID 107420540
2-chloro-6-methyl-N-[(2-methyloxolan-3-yl)methyl]pyridine-4-carboxamide
CID 114105394
2-chloro-N-[(2-methylcyclohexyl)methyl]pyridine-4-carboxamide
CID 54983144
4-hydroxy-3-methyl-N-[(2-methylcyclopentyl)methyl]benzamide
CID 107676879
2-chloro-N-ethyl-6-methylpyridine-4-carboxamide
CID 89150895
6-chloro-N-[(2-methylcyclopentyl)methyl]pyridine-2-carboxamide
CID 107417789
2-chloro-N-(2-cyclohexylethyl)-6-methylpyridine-4-carboxamide
CID 113378333
4-chloro-6-methyl-N-[(2-methylcyclohexyl)methyl]pyridine-3-carboxamide
CID 81227209
2-(aminomethyl)-N-[(2-methylcyclopentyl)methyl]pyridine-4-carboxamide
CID 107418474
2-chloro-N-(2-cyclopentyloxyethyl)-6-methylpyridine-4-carboxamide
CID 113378437
2-chloro-N-(2,3-dimethylcyclopentyl)-6-methylpyridine-4-carboxamide
CID 113378456

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-methyl-N-[(2-methylcyclopentyl)methyl]pyridine-4-carboxamide?
The IUPAC name of 2-chloro-6-methyl-N-[(2-methylcyclopentyl)methyl]pyridine-4-carboxamide (CID 107417821) is 2-chloro-6-methyl-N-[(2-methylcyclopentyl)methyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-6-methyl-N-[(2-methylcyclopentyl)methyl]pyridine-4-carboxamide?
The canonical SMILES for 2-chloro-6-methyl-N-[(2-methylcyclopentyl)methyl]pyridine-4-carboxamide is Cc1cc(C(=O)NCC2CCCC2C)cc(Cl)n1.
What is the InChIKey of 2-chloro-6-methyl-N-[(2-methylcyclopentyl)methyl]pyridine-4-carboxamide?
The InChIKey is GHYGBBASUQAMAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O/c1-9-4-3-5-11(9)8-16-14(18)12-6-10(2)17-13(15)7-12/h6-7,9,11H,3-5,8H2,1-2H3,(H,16,18).
What are the key properties of 2-chloro-6-methyl-N-[(2-methylcyclopentyl)methyl]pyridine-4-carboxamide?
2-chloro-6-methyl-N-[(2-methylcyclopentyl)methyl]pyridine-4-carboxamide has a molecular weight of 266.77 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-methyl-N-[(2-methylcyclopentyl)methyl]pyridine-4-carboxamide is sourced from PubChem (CID 107417821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).