1-(4-fluorophenyl)-4-(5-fluoro-2-pyridinyl)-4-pyridin-2-yloxycyclohexane-1-carboxamide

C23H21F2N3O2 — CID 59442605

IUPAC1-(4-fluorophenyl)-4-(5-fluoro-2-pyridinyl)-4-pyridin-2-yloxycyclohexane-1-carboxamide
SMILESNC(=O)C1(c2ccc(F)cc2)CCC(Oc2ccccn2)(c2ccc(F)cn2)CC1
InChIInChI=1S/C23H21F2N3O2/c24-17-6-4-16(5-7-17)22(21(26)29)10-12-23(13-11-22,19-9-8-18(25)15-28-19)30-20-3-1-2-14-27-20/h1-9,14-15H,10-13H2,(H2,26,29)
InChIKeyTZDSXZCLJQYOCV-UHFFFAOYSA-N
MW409.44 g/mol
LogP4.03
Rot. Bonds5

About 1-(4-fluorophenyl)-4-(5-fluoro-2-pyridinyl)-4-pyridin-2-yloxycyclohexane-1-carboxamide

1-(4-fluorophenyl)-4-(5-fluoro-2-pyridinyl)-4-pyridin-2-yloxycyclohexane-1-carboxamide (PubChem CID 59442605) has the molecular formula C23H21F2N3O2 and a molecular weight of 409.44 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-4-(5-fluoro-2-pyridinyl)-4-pyridin-2-yloxycyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-4-(5-fluoro-2-pyridinyl)-4-pyridin-2-yloxycyclohexane-1-carboxamide
PubChem CID59442605
Molecular FormulaC23H21F2N3O2
Molecular Weight409.44 g/mol
Exact Mass409.16
IUPAC Name1-(4-fluorophenyl)-4-(5-fluoro-2-pyridinyl)-4-pyridin-2-yloxycyclohexane-1-carboxamide
SMILESNC(=O)C1(c2ccc(F)cc2)CCC(Oc2ccccn2)(c2ccc(F)cn2)CC1
InChIInChI=1S/C23H21F2N3O2/c24-17-6-4-16(5-7-17)22(21(26)29)10-12-23(13-11-22,19-9-8-18(25)15-28-19)30-20-3-1-2-14-27-20/h1-9,14-15H,10-13H2,(H2,26,29)
InChIKeyTZDSXZCLJQYOCV-UHFFFAOYSA-N
XLogP4.03
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.44
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-4-(5-fluoro-2-pyridinyl)-4-pyridin-2-yloxycyclohexane-1-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-4-(5-fluoro-2-pyridinyl)-4-pyridin-2-yloxycyclohexane-1-carboxamide (CID 59442605) is 1-(4-fluorophenyl)-4-(5-fluoro-2-pyridinyl)-4-pyridin-2-yloxycyclohexane-1-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-4-(5-fluoro-2-pyridinyl)-4-pyridin-2-yloxycyclohexane-1-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-4-(5-fluoro-2-pyridinyl)-4-pyridin-2-yloxycyclohexane-1-carboxamide is NC(=O)C1(c2ccc(F)cc2)CCC(Oc2ccccn2)(c2ccc(F)cn2)CC1.
What is the InChIKey of 1-(4-fluorophenyl)-4-(5-fluoro-2-pyridinyl)-4-pyridin-2-yloxycyclohexane-1-carboxamide?
The InChIKey is TZDSXZCLJQYOCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F2N3O2/c24-17-6-4-16(5-7-17)22(21(26)29)10-12-23(13-11-22,19-9-8-18(25)15-28-19)30-20-3-1-2-14-27-20/h1-9,14-15H,10-13H2,(H2,26,29).
What are the key properties of 1-(4-fluorophenyl)-4-(5-fluoro-2-pyridinyl)-4-pyridin-2-yloxycyclohexane-1-carboxamide?
1-(4-fluorophenyl)-4-(5-fluoro-2-pyridinyl)-4-pyridin-2-yloxycyclohexane-1-carboxamide has a molecular weight of 409.44 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-4-(5-fluoro-2-pyridinyl)-4-pyridin-2-yloxycyclohexane-1-carboxamide is sourced from PubChem (CID 59442605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).