N-(5-chloro-2-pyridinyl)-3-cyclohexyl-N-phenylpropanamide

C20H23ClN2O — CID 166763712

IUPACN-(5-chloro-2-pyridinyl)-3-cyclohexyl-N-phenylpropanamide
SMILESO=C(CCC1CCCCC1)N(c1ccccc1)c1ccc(Cl)cn1
InChIInChI=1S/C20H23ClN2O/c21-17-12-13-19(22-15-17)23(18-9-5-2-6-10-18)20(24)14-11-16-7-3-1-4-8-16/h2,5-6,9-10,12-13,15-16H,1,3-4,7-8,11,14H2
InChIKeyLJYQFZCWFRUQPZ-UHFFFAOYSA-N
MW342.87 g/mol
LogP5.76
Rot. Bonds5

About N-(5-chloro-2-pyridinyl)-3-cyclohexyl-N-phenylpropanamide

N-(5-chloro-2-pyridinyl)-3-cyclohexyl-N-phenylpropanamide (PubChem CID 166763712) has the molecular formula C20H23ClN2O and a molecular weight of 342.87 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-3-cyclohexyl-N-phenylpropanamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-3-cyclohexyl-N-phenylpropanamide
PubChem CID166763712
Molecular FormulaC20H23ClN2O
Molecular Weight342.87 g/mol
Exact Mass342.15
IUPAC NameN-(5-chloro-2-pyridinyl)-3-cyclohexyl-N-phenylpropanamide
SMILESO=C(CCC1CCCCC1)N(c1ccccc1)c1ccc(Cl)cn1
InChIInChI=1S/C20H23ClN2O/c21-17-12-13-19(22-15-17)23(18-9-5-2-6-10-18)20(24)14-11-16-7-3-1-4-8-16/h2,5-6,9-10,12-13,15-16H,1,3-4,7-8,11,14H2
InChIKeyLJYQFZCWFRUQPZ-UHFFFAOYSA-N
XLogP5.76
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.87
LogP ≤ 55.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-3-cyclohexyl-N-phenylpropanamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-3-cyclohexyl-N-phenylpropanamide (CID 166763712) is N-(5-chloro-2-pyridinyl)-3-cyclohexyl-N-phenylpropanamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-3-cyclohexyl-N-phenylpropanamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-3-cyclohexyl-N-phenylpropanamide is O=C(CCC1CCCCC1)N(c1ccccc1)c1ccc(Cl)cn1.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-3-cyclohexyl-N-phenylpropanamide?
The InChIKey is LJYQFZCWFRUQPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O/c21-17-12-13-19(22-15-17)23(18-9-5-2-6-10-18)20(24)14-11-16-7-3-1-4-8-16/h2,5-6,9-10,12-13,15-16H,1,3-4,7-8,11,14H2.
What are the key properties of N-(5-chloro-2-pyridinyl)-3-cyclohexyl-N-phenylpropanamide?
N-(5-chloro-2-pyridinyl)-3-cyclohexyl-N-phenylpropanamide has a molecular weight of 342.87 g/mol, XLogP of 5.76, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-3-cyclohexyl-N-phenylpropanamide is sourced from PubChem (CID 166763712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).