4-chloro-N-(2-methoxycyclopentyl)-6-methylpyridine-3-carboxamide

C13H17ClN2O2 — CID 81226462

IUPAC4-chloro-N-(2-methoxycyclopentyl)-6-methylpyridine-3-carboxamide
SMILESCOC1CCCC1NC(=O)c1cnc(C)cc1Cl
InChIInChI=1S/C13H17ClN2O2/c1-8-6-10(14)9(7-15-8)13(17)16-11-4-3-5-12(11)18-2/h6-7,11-12H,3-5H2,1-2H3,(H,16,17)
InChIKeyCNXTZHUMOBRARX-UHFFFAOYSA-N
MW268.74 g/mol
LogP2.34
Rot. Bonds3

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

4-chloro-N-(2-methoxycyclopentyl)-6-methylpyridine-3-carboxamide (PubChem CID 81226462) has the molecular formula C13H17ClN2O2 and a molecular weight of 268.74 g/mol. Its IUPAC name is 4-chloro-N-(2-methoxycyclopentyl)-6-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name4-chloro-N-(2-methoxycyclopentyl)-6-methylpyridine-3-carboxamide
PubChem CID81226462
Molecular FormulaC13H17ClN2O2
Molecular Weight268.74 g/mol
Exact Mass268.10
IUPAC Name4-chloro-N-(2-methoxycyclopentyl)-6-methylpyridine-3-carboxamide
SMILESCOC1CCCC1NC(=O)c1cnc(C)cc1Cl
InChIInChI=1S/C13H17ClN2O2/c1-8-6-10(14)9(7-15-8)13(17)16-11-4-3-5-12(11)18-2/h6-7,11-12H,3-5H2,1-2H3,(H,16,17)
InChIKeyCNXTZHUMOBRARX-UHFFFAOYSA-N
XLogP2.34
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.74
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2-methoxycyclopentyl)-6-methylpyridine-3-carboxamide?
The IUPAC name of 4-chloro-N-(2-methoxycyclopentyl)-6-methylpyridine-3-carboxamide (CID 81226462) is 4-chloro-N-(2-methoxycyclopentyl)-6-methylpyridine-3-carboxamide.
What is the SMILES notation for 4-chloro-N-(2-methoxycyclopentyl)-6-methylpyridine-3-carboxamide?
The canonical SMILES for 4-chloro-N-(2-methoxycyclopentyl)-6-methylpyridine-3-carboxamide is COC1CCCC1NC(=O)c1cnc(C)cc1Cl.
What is the InChIKey of 4-chloro-N-(2-methoxycyclopentyl)-6-methylpyridine-3-carboxamide?
The InChIKey is CNXTZHUMOBRARX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O2/c1-8-6-10(14)9(7-15-8)13(17)16-11-4-3-5-12(11)18-2/h6-7,11-12H,3-5H2,1-2H3,(H,16,17).
What are the key properties of 4-chloro-N-(2-methoxycyclopentyl)-6-methylpyridine-3-carboxamide?
4-chloro-N-(2-methoxycyclopentyl)-6-methylpyridine-3-carboxamide has a molecular weight of 268.74 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2-methoxycyclopentyl)-6-methylpyridine-3-carboxamide is sourced from PubChem (CID 81226462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).