4-chloro-6-methyl-N-(1-methylcyclopentyl)pyridine-3-carboxamide

C13H17ClN2O — CID 81226891

IUPAC4-chloro-6-methyl-N-(1-methylcyclopentyl)pyridine-3-carboxamide
SMILESCc1cc(Cl)c(C(=O)NC2(C)CCCC2)cn1
InChIInChI=1S/C13H17ClN2O/c1-9-7-11(14)10(8-15-9)12(17)16-13(2)5-3-4-6-13/h7-8H,3-6H2,1-2H3,(H,16,17)
InChIKeyFFBPDDRYYNNYBM-UHFFFAOYSA-N
MW252.74 g/mol
LogP3.11
Rot. Bonds2

About 4-chloro-6-methyl-N-(1-methylcyclopentyl)pyridine-3-carboxamide

4-chloro-6-methyl-N-(1-methylcyclopentyl)pyridine-3-carboxamide (PubChem CID 81226891) has the molecular formula C13H17ClN2O and a molecular weight of 252.74 g/mol. Its IUPAC name is 4-chloro-6-methyl-N-(1-methylcyclopentyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name4-chloro-6-methyl-N-(1-methylcyclopentyl)pyridine-3-carboxamide
PubChem CID81226891
Molecular FormulaC13H17ClN2O
Molecular Weight252.74 g/mol
Exact Mass252.10
IUPAC Name4-chloro-6-methyl-N-(1-methylcyclopentyl)pyridine-3-carboxamide
SMILESCc1cc(Cl)c(C(=O)NC2(C)CCCC2)cn1
InChIInChI=1S/C13H17ClN2O/c1-9-7-11(14)10(8-15-9)12(17)16-13(2)5-3-4-6-13/h7-8H,3-6H2,1-2H3,(H,16,17)
InChIKeyFFBPDDRYYNNYBM-UHFFFAOYSA-N
XLogP3.11
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.74
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-methyl-N-(1-methylcyclopentyl)pyridine-3-carboxamide?
The IUPAC name of 4-chloro-6-methyl-N-(1-methylcyclopentyl)pyridine-3-carboxamide (CID 81226891) is 4-chloro-6-methyl-N-(1-methylcyclopentyl)pyridine-3-carboxamide.
What is the SMILES notation for 4-chloro-6-methyl-N-(1-methylcyclopentyl)pyridine-3-carboxamide?
The canonical SMILES for 4-chloro-6-methyl-N-(1-methylcyclopentyl)pyridine-3-carboxamide is Cc1cc(Cl)c(C(=O)NC2(C)CCCC2)cn1.
What is the InChIKey of 4-chloro-6-methyl-N-(1-methylcyclopentyl)pyridine-3-carboxamide?
The InChIKey is FFBPDDRYYNNYBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O/c1-9-7-11(14)10(8-15-9)12(17)16-13(2)5-3-4-6-13/h7-8H,3-6H2,1-2H3,(H,16,17).
What are the key properties of 4-chloro-6-methyl-N-(1-methylcyclopentyl)pyridine-3-carboxamide?
4-chloro-6-methyl-N-(1-methylcyclopentyl)pyridine-3-carboxamide has a molecular weight of 252.74 g/mol, XLogP of 3.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-methyl-N-(1-methylcyclopentyl)pyridine-3-carboxamide is sourced from PubChem (CID 81226891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).