N-(6-chloro-3-pyridinyl)-3-cyclohexylpropanamide

C14H19ClN2O — CID 113231839

IUPACN-(6-chloro-3-pyridinyl)-3-cyclohexylpropanamide
SMILESO=C(CCC1CCCCC1)Nc1ccc(Cl)nc1
InChIInChI=1S/C14H19ClN2O/c15-13-8-7-12(10-16-13)17-14(18)9-6-11-4-2-1-3-5-11/h7-8,10-11H,1-6,9H2,(H,17,18)
InChIKeyQINALGXNXQZTOJ-UHFFFAOYSA-N
MW266.77 g/mol
LogP4.03
Rot. Bonds4

About N-(6-chloro-3-pyridinyl)-3-cyclohexylpropanamide

N-(6-chloro-3-pyridinyl)-3-cyclohexylpropanamide (PubChem CID 113231839) has the molecular formula C14H19ClN2O and a molecular weight of 266.77 g/mol. Its IUPAC name is N-(6-chloro-3-pyridinyl)-3-cyclohexylpropanamide.

Molecular Properties

Compound NameN-(6-chloro-3-pyridinyl)-3-cyclohexylpropanamide
PubChem CID113231839
Molecular FormulaC14H19ClN2O
Molecular Weight266.77 g/mol
Exact Mass266.12
IUPAC NameN-(6-chloro-3-pyridinyl)-3-cyclohexylpropanamide
SMILESO=C(CCC1CCCCC1)Nc1ccc(Cl)nc1
InChIInChI=1S/C14H19ClN2O/c15-13-8-7-12(10-16-13)17-14(18)9-6-11-4-2-1-3-5-11/h7-8,10-11H,1-6,9H2,(H,17,18)
InChIKeyQINALGXNXQZTOJ-UHFFFAOYSA-N
XLogP4.03
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.77
LogP ≤ 54.03
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

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N-(6-chloro-5-methyl-3-pyridinyl)-3-cyclopentylpropanamide
CID 103730306
N-(6-amino-3-pyridinyl)-3-cyclopropylpropanamide
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3-cyclohexyl-N-(4-sulfanylphenyl)propanamide
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3-cyclohexyl-N-(2-piperidin-1-ylpyrimidin-5-yl)propanamide
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N-(3-chlorophenyl)-3-cyclohexylpropanamide
CID 803651
N-(6-amino-3-pyridinyl)-4-cyclopentylbutanamide;hydrochloride
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CID 10781094
N-(4-acetylphenyl)-3-cyclopentylpropanamide
CID 835633
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CID 110493363

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-3-pyridinyl)-3-cyclohexylpropanamide?
The IUPAC name of N-(6-chloro-3-pyridinyl)-3-cyclohexylpropanamide (CID 113231839) is N-(6-chloro-3-pyridinyl)-3-cyclohexylpropanamide.
What is the SMILES notation for N-(6-chloro-3-pyridinyl)-3-cyclohexylpropanamide?
The canonical SMILES for N-(6-chloro-3-pyridinyl)-3-cyclohexylpropanamide is O=C(CCC1CCCCC1)Nc1ccc(Cl)nc1.
What is the InChIKey of N-(6-chloro-3-pyridinyl)-3-cyclohexylpropanamide?
The InChIKey is QINALGXNXQZTOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O/c15-13-8-7-12(10-16-13)17-14(18)9-6-11-4-2-1-3-5-11/h7-8,10-11H,1-6,9H2,(H,17,18).
What are the key properties of N-(6-chloro-3-pyridinyl)-3-cyclohexylpropanamide?
N-(6-chloro-3-pyridinyl)-3-cyclohexylpropanamide has a molecular weight of 266.77 g/mol, XLogP of 4.03, 4 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)-3-cyclohexylpropanamide is sourced from PubChem (CID 113231839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).