5-(4-chlorophenyl)-N-(2-hydroxycyclohexyl)-6-(pyridin-3-ylmethoxy)pyridine-3-carboxamide

C24H24ClN3O3 — CID 21109623

IUPAC5-(4-chlorophenyl)-N-(2-hydroxycyclohexyl)-6-(pyridin-3-ylmethoxy)pyridine-3-carboxamide
SMILESO=C(NC1CCCCC1O)c1cnc(OCc2cccnc2)c(-c2ccc(Cl)cc2)c1
InChIInChI=1S/C24H24ClN3O3/c25-19-9-7-17(8-10-19)20-12-18(23(30)28-21-5-1-2-6-22(21)29)14-27-24(20)31-15-16-4-3-11-26-13-16/h3-4,7-14,21-22,29H,1-2,5-6,15H2,(H,28,30)
InChIKeyGZANEENHXGTSQQ-UHFFFAOYSA-N
MW437.93 g/mol
LogP4.41
Rot. Bonds6

About 5-(4-chlorophenyl)-N-(2-hydroxycyclohexyl)-6-(pyridin-3-ylmethoxy)pyridine-3-carboxamide

5-(4-chlorophenyl)-N-(2-hydroxycyclohexyl)-6-(pyridin-3-ylmethoxy)pyridine-3-carboxamide (PubChem CID 21109623) has the molecular formula C24H24ClN3O3 and a molecular weight of 437.93 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-N-(2-hydroxycyclohexyl)-6-(pyridin-3-ylmethoxy)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-N-(2-hydroxycyclohexyl)-6-(pyridin-3-ylmethoxy)pyridine-3-carboxamide
PubChem CID21109623
Molecular FormulaC24H24ClN3O3
Molecular Weight437.93 g/mol
Exact Mass437.15
IUPAC Name5-(4-chlorophenyl)-N-(2-hydroxycyclohexyl)-6-(pyridin-3-ylmethoxy)pyridine-3-carboxamide
SMILESO=C(NC1CCCCC1O)c1cnc(OCc2cccnc2)c(-c2ccc(Cl)cc2)c1
InChIInChI=1S/C24H24ClN3O3/c25-19-9-7-17(8-10-19)20-12-18(23(30)28-21-5-1-2-6-22(21)29)14-27-24(20)31-15-16-4-3-11-26-13-16/h3-4,7-14,21-22,29H,1-2,5-6,15H2,(H,28,30)
InChIKeyGZANEENHXGTSQQ-UHFFFAOYSA-N
XLogP4.41
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.93
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-N-(2-hydroxycyclohexyl)-6-(pyridin-3-ylmethoxy)pyridine-3-carboxamide?
The IUPAC name of 5-(4-chlorophenyl)-N-(2-hydroxycyclohexyl)-6-(pyridin-3-ylmethoxy)pyridine-3-carboxamide (CID 21109623) is 5-(4-chlorophenyl)-N-(2-hydroxycyclohexyl)-6-(pyridin-3-ylmethoxy)pyridine-3-carboxamide.
What is the SMILES notation for 5-(4-chlorophenyl)-N-(2-hydroxycyclohexyl)-6-(pyridin-3-ylmethoxy)pyridine-3-carboxamide?
The canonical SMILES for 5-(4-chlorophenyl)-N-(2-hydroxycyclohexyl)-6-(pyridin-3-ylmethoxy)pyridine-3-carboxamide is O=C(NC1CCCCC1O)c1cnc(OCc2cccnc2)c(-c2ccc(Cl)cc2)c1.
What is the InChIKey of 5-(4-chlorophenyl)-N-(2-hydroxycyclohexyl)-6-(pyridin-3-ylmethoxy)pyridine-3-carboxamide?
The InChIKey is GZANEENHXGTSQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClN3O3/c25-19-9-7-17(8-10-19)20-12-18(23(30)28-21-5-1-2-6-22(21)29)14-27-24(20)31-15-16-4-3-11-26-13-16/h3-4,7-14,21-22,29H,1-2,5-6,15H2,(H,28,30).
What are the key properties of 5-(4-chlorophenyl)-N-(2-hydroxycyclohexyl)-6-(pyridin-3-ylmethoxy)pyridine-3-carboxamide?
5-(4-chlorophenyl)-N-(2-hydroxycyclohexyl)-6-(pyridin-3-ylmethoxy)pyridine-3-carboxamide has a molecular weight of 437.93 g/mol, XLogP of 4.41, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-N-(2-hydroxycyclohexyl)-6-(pyridin-3-ylmethoxy)pyridine-3-carboxamide is sourced from PubChem (CID 21109623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).