[4-(4-chlorophenyl)cyclohexyl]-(3-cyclopropyl-6-ethyl-2-pyridinyl)methanone

C23H26ClNO — CID 159396738

IUPAC[4-(4-chlorophenyl)cyclohexyl]-(3-cyclopropyl-6-ethyl-2-pyridinyl)methanone
SMILESCCc1ccc(C2CC2)c(C(=O)C2CCC(c3ccc(Cl)cc3)CC2)n1
InChIInChI=1S/C23H26ClNO/c1-2-20-13-14-21(17-5-6-17)22(25-20)23(26)18-7-3-15(4-8-18)16-9-11-19(24)12-10-16/h9-15,17-18H,2-8H2,1H3
InChIKeyWQRXKYNJNXKYOQ-UHFFFAOYSA-N
MW367.92 g/mol
LogP6.33
Rot. Bonds5

About [4-(4-chlorophenyl)cyclohexyl]-(3-cyclopropyl-6-ethyl-2-pyridinyl)methanone

[4-(4-chlorophenyl)cyclohexyl]-(3-cyclopropyl-6-ethyl-2-pyridinyl)methanone (PubChem CID 159396738) has the molecular formula C23H26ClNO and a molecular weight of 367.92 g/mol. Its IUPAC name is [4-(4-chlorophenyl)cyclohexyl]-(3-cyclopropyl-6-ethyl-2-pyridinyl)methanone.

Molecular Properties

Compound Name[4-(4-chlorophenyl)cyclohexyl]-(3-cyclopropyl-6-ethyl-2-pyridinyl)methanone
PubChem CID159396738
Molecular FormulaC23H26ClNO
Molecular Weight367.92 g/mol
Exact Mass367.17
IUPAC Name[4-(4-chlorophenyl)cyclohexyl]-(3-cyclopropyl-6-ethyl-2-pyridinyl)methanone
SMILESCCc1ccc(C2CC2)c(C(=O)C2CCC(c3ccc(Cl)cc3)CC2)n1
InChIInChI=1S/C23H26ClNO/c1-2-20-13-14-21(17-5-6-17)22(25-20)23(26)18-7-3-15(4-8-18)16-9-11-19(24)12-10-16/h9-15,17-18H,2-8H2,1H3
InChIKeyWQRXKYNJNXKYOQ-UHFFFAOYSA-N
XLogP6.33
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.92
LogP ≤ 56.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-(4-chlorophenyl)cyclohexyl]-(3-cyclopropyl-6-ethyl-2-pyridinyl)methanone?
The IUPAC name of [4-(4-chlorophenyl)cyclohexyl]-(3-cyclopropyl-6-ethyl-2-pyridinyl)methanone (CID 159396738) is [4-(4-chlorophenyl)cyclohexyl]-(3-cyclopropyl-6-ethyl-2-pyridinyl)methanone.
What is the SMILES notation for [4-(4-chlorophenyl)cyclohexyl]-(3-cyclopropyl-6-ethyl-2-pyridinyl)methanone?
The canonical SMILES for [4-(4-chlorophenyl)cyclohexyl]-(3-cyclopropyl-6-ethyl-2-pyridinyl)methanone is CCc1ccc(C2CC2)c(C(=O)C2CCC(c3ccc(Cl)cc3)CC2)n1.
What is the InChIKey of [4-(4-chlorophenyl)cyclohexyl]-(3-cyclopropyl-6-ethyl-2-pyridinyl)methanone?
The InChIKey is WQRXKYNJNXKYOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClNO/c1-2-20-13-14-21(17-5-6-17)22(25-20)23(26)18-7-3-15(4-8-18)16-9-11-19(24)12-10-16/h9-15,17-18H,2-8H2,1H3.
What are the key properties of [4-(4-chlorophenyl)cyclohexyl]-(3-cyclopropyl-6-ethyl-2-pyridinyl)methanone?
[4-(4-chlorophenyl)cyclohexyl]-(3-cyclopropyl-6-ethyl-2-pyridinyl)methanone has a molecular weight of 367.92 g/mol, XLogP of 6.33, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-chlorophenyl)cyclohexyl]-(3-cyclopropyl-6-ethyl-2-pyridinyl)methanone is sourced from PubChem (CID 159396738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).