N-(6-chloro-3-pyridinyl)-2-cyclopentylacetamide

C12H15ClN2O — CID 54788342

IUPACN-(6-chloro-3-pyridinyl)-2-cyclopentylacetamide
SMILESO=C(CC1CCCC1)Nc1ccc(Cl)nc1
InChIInChI=1S/C12H15ClN2O/c13-11-6-5-10(8-14-11)15-12(16)7-9-3-1-2-4-9/h5-6,8-9H,1-4,7H2,(H,15,16)
InChIKeyORLWSHQSEQCVQG-UHFFFAOYSA-N
MW238.72 g/mol
LogP3.25
Rot. Bonds3

About N-(6-chloro-3-pyridinyl)-2-cyclopentylacetamide

N-(6-chloro-3-pyridinyl)-2-cyclopentylacetamide (PubChem CID 54788342) has the molecular formula C12H15ClN2O and a molecular weight of 238.72 g/mol. Its IUPAC name is N-(6-chloro-3-pyridinyl)-2-cyclopentylacetamide.

Molecular Properties

Compound NameN-(6-chloro-3-pyridinyl)-2-cyclopentylacetamide
PubChem CID54788342
Molecular FormulaC12H15ClN2O
Molecular Weight238.72 g/mol
Exact Mass238.09
IUPAC NameN-(6-chloro-3-pyridinyl)-2-cyclopentylacetamide
SMILESO=C(CC1CCCC1)Nc1ccc(Cl)nc1
InChIInChI=1S/C12H15ClN2O/c13-11-6-5-10(8-14-11)15-12(16)7-9-3-1-2-4-9/h5-6,8-9H,1-4,7H2,(H,15,16)
InChIKeyORLWSHQSEQCVQG-UHFFFAOYSA-N
XLogP3.25
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.72
LogP ≤ 53.25
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

N-(6-chloro-3-pyridinyl)-3-cyclohexylpropanamide
CID 113231839
N-(6-amino-3-pyridinyl)-2-cyclopentylacetamide;hydrochloride
CID 119260450
2-cyclohexyl-N-[6-(methylamino)-3-pyridinyl]acetamide
CID 115274700
N-(6-chloro-5-methyl-3-pyridinyl)-2-cyclohexylacetamide
CID 103730501
N-(6-amino-3-pyridinyl)-2-cyclopropylacetamide
CID 62901685
N-(4-chloro-3-hydroxyphenyl)-2-cyclopentylacetamide
CID 64788662
2-cyclopentyl-N-(4-iodophenyl)acetamide
CID 2677478
2-cyclopentyl-N-pyridin-4-ylacetamide
CID 11839759
N-(6-chloro-3-pyridinyl)-2-piperidin-4-ylsulfanylacetamide
CID 114627925
2-cyclopentyl-N-(4-propan-2-ylphenyl)acetamide
CID 11839703
2-cyclopentyl-N-[4-(dimethylamino)phenyl]acetamide
CID 47097970
2-[5-[(2-cyclopropylacetyl)amino]-2-pyridinyl]acetic acid
CID 107338810

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-3-pyridinyl)-2-cyclopentylacetamide?
The IUPAC name of N-(6-chloro-3-pyridinyl)-2-cyclopentylacetamide (CID 54788342) is N-(6-chloro-3-pyridinyl)-2-cyclopentylacetamide.
What is the SMILES notation for N-(6-chloro-3-pyridinyl)-2-cyclopentylacetamide?
The canonical SMILES for N-(6-chloro-3-pyridinyl)-2-cyclopentylacetamide is O=C(CC1CCCC1)Nc1ccc(Cl)nc1.
What is the InChIKey of N-(6-chloro-3-pyridinyl)-2-cyclopentylacetamide?
The InChIKey is ORLWSHQSEQCVQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O/c13-11-6-5-10(8-14-11)15-12(16)7-9-3-1-2-4-9/h5-6,8-9H,1-4,7H2,(H,15,16).
What are the key properties of N-(6-chloro-3-pyridinyl)-2-cyclopentylacetamide?
N-(6-chloro-3-pyridinyl)-2-cyclopentylacetamide has a molecular weight of 238.72 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-3-pyridinyl)-2-cyclopentylacetamide is sourced from PubChem (CID 54788342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).