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

C24H24ClN3O3 — CID 21109622

IUPAC5-(4-chlorophenyl)-N-(2-hydroxycyclohexyl)-6-(pyridin-2-ylmethoxy)pyridine-3-carboxamide
SMILESO=C(NC1CCCCC1O)c1cnc(OCc2ccccn2)c(-c2ccc(Cl)cc2)c1
InChIInChI=1S/C24H24ClN3O3/c25-18-10-8-16(9-11-18)20-13-17(23(30)28-21-6-1-2-7-22(21)29)14-27-24(20)31-15-19-5-3-4-12-26-19/h3-5,8-14,21-22,29H,1-2,6-7,15H2,(H,28,30)
InChIKeyFEFCEQBFPNAQNT-UHFFFAOYSA-N
MW437.93 g/mol
LogP4.41
Rot. Bonds6

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

5-(4-chlorophenyl)-N-(2-hydroxycyclohexyl)-6-(pyridin-2-ylmethoxy)pyridine-3-carboxamide (PubChem CID 21109622) 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-2-ylmethoxy)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-N-(2-hydroxycyclohexyl)-6-(pyridin-2-ylmethoxy)pyridine-3-carboxamide
PubChem CID21109622
Molecular FormulaC24H24ClN3O3
Molecular Weight437.93 g/mol
Exact Mass437.15
IUPAC Name5-(4-chlorophenyl)-N-(2-hydroxycyclohexyl)-6-(pyridin-2-ylmethoxy)pyridine-3-carboxamide
SMILESO=C(NC1CCCCC1O)c1cnc(OCc2ccccn2)c(-c2ccc(Cl)cc2)c1
InChIInChI=1S/C24H24ClN3O3/c25-18-10-8-16(9-11-18)20-13-17(23(30)28-21-6-1-2-7-22(21)29)14-27-24(20)31-15-19-5-3-4-12-26-19/h3-5,8-14,21-22,29H,1-2,6-7,15H2,(H,28,30)
InChIKeyFEFCEQBFPNAQNT-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-2-ylmethoxy)pyridine-3-carboxamide?
The IUPAC name of 5-(4-chlorophenyl)-N-(2-hydroxycyclohexyl)-6-(pyridin-2-ylmethoxy)pyridine-3-carboxamide (CID 21109622) is 5-(4-chlorophenyl)-N-(2-hydroxycyclohexyl)-6-(pyridin-2-ylmethoxy)pyridine-3-carboxamide.
What is the SMILES notation for 5-(4-chlorophenyl)-N-(2-hydroxycyclohexyl)-6-(pyridin-2-ylmethoxy)pyridine-3-carboxamide?
The canonical SMILES for 5-(4-chlorophenyl)-N-(2-hydroxycyclohexyl)-6-(pyridin-2-ylmethoxy)pyridine-3-carboxamide is O=C(NC1CCCCC1O)c1cnc(OCc2ccccn2)c(-c2ccc(Cl)cc2)c1.
What is the InChIKey of 5-(4-chlorophenyl)-N-(2-hydroxycyclohexyl)-6-(pyridin-2-ylmethoxy)pyridine-3-carboxamide?
The InChIKey is FEFCEQBFPNAQNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClN3O3/c25-18-10-8-16(9-11-18)20-13-17(23(30)28-21-6-1-2-7-22(21)29)14-27-24(20)31-15-19-5-3-4-12-26-19/h3-5,8-14,21-22,29H,1-2,6-7,15H2,(H,28,30).
What are the key properties of 5-(4-chlorophenyl)-N-(2-hydroxycyclohexyl)-6-(pyridin-2-ylmethoxy)pyridine-3-carboxamide?
5-(4-chlorophenyl)-N-(2-hydroxycyclohexyl)-6-(pyridin-2-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-2-ylmethoxy)pyridine-3-carboxamide is sourced from PubChem (CID 21109622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).