3-cyano-N-(4-pyridin-2-yloxycyclohexyl)benzamide

C19H19N3O2 — CID 91625978

IUPAC3-cyano-N-(4-pyridin-2-yloxycyclohexyl)benzamide
SMILESN#Cc1cccc(C(=O)NC2CCC(Oc3ccccn3)CC2)c1
InChIInChI=1S/C19H19N3O2/c20-13-14-4-3-5-15(12-14)19(23)22-16-7-9-17(10-8-16)24-18-6-1-2-11-21-18/h1-6,11-12,16-17H,7-10H2,(H,22,23)
InChIKeyOSKBVTVGYMSVSV-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.07
Rot. Bonds4

About 3-cyano-N-(4-pyridin-2-yloxycyclohexyl)benzamide

3-cyano-N-(4-pyridin-2-yloxycyclohexyl)benzamide (PubChem CID 91625978) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is 3-cyano-N-(4-pyridin-2-yloxycyclohexyl)benzamide.

Molecular Properties

Compound Name3-cyano-N-(4-pyridin-2-yloxycyclohexyl)benzamide
PubChem CID91625978
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Name3-cyano-N-(4-pyridin-2-yloxycyclohexyl)benzamide
SMILESN#Cc1cccc(C(=O)NC2CCC(Oc3ccccn3)CC2)c1
InChIInChI=1S/C19H19N3O2/c20-13-14-4-3-5-15(12-14)19(23)22-16-7-9-17(10-8-16)24-18-6-1-2-11-21-18/h1-6,11-12,16-17H,7-10H2,(H,22,23)
InChIKeyOSKBVTVGYMSVSV-UHFFFAOYSA-N
XLogP3.07
TPSA75.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-(4-pyridin-2-yloxycyclohexyl)benzamide?
The IUPAC name of 3-cyano-N-(4-pyridin-2-yloxycyclohexyl)benzamide (CID 91625978) is 3-cyano-N-(4-pyridin-2-yloxycyclohexyl)benzamide.
What is the SMILES notation for 3-cyano-N-(4-pyridin-2-yloxycyclohexyl)benzamide?
The canonical SMILES for 3-cyano-N-(4-pyridin-2-yloxycyclohexyl)benzamide is N#Cc1cccc(C(=O)NC2CCC(Oc3ccccn3)CC2)c1.
What is the InChIKey of 3-cyano-N-(4-pyridin-2-yloxycyclohexyl)benzamide?
The InChIKey is OSKBVTVGYMSVSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c20-13-14-4-3-5-15(12-14)19(23)22-16-7-9-17(10-8-16)24-18-6-1-2-11-21-18/h1-6,11-12,16-17H,7-10H2,(H,22,23).
What are the key properties of 3-cyano-N-(4-pyridin-2-yloxycyclohexyl)benzamide?
3-cyano-N-(4-pyridin-2-yloxycyclohexyl)benzamide has a molecular weight of 321.38 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-(4-pyridin-2-yloxycyclohexyl)benzamide is sourced from PubChem (CID 91625978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).