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

C24H24ClN3O3 — CID 69414617

IUPAC5-(4-chlorophenyl)-N-[(2R)-2-hydroxycyclohexyl]-6-(pyridin-3-ylmethoxy)pyridine-3-carboxamide
SMILESO=C(NC1CCCC[C@H]1O)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)/t21?,22-/m1/s1
InChIKeyGZANEENHXGTSQQ-FOIFJWKZSA-N
MW437.93 g/mol
LogP4.41
Rot. Bonds6

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

5-(4-chlorophenyl)-N-[(2R)-2-hydroxycyclohexyl]-6-(pyridin-3-ylmethoxy)pyridine-3-carboxamide (PubChem CID 69414617) has the molecular formula C24H24ClN3O3 and a molecular weight of 437.93 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-N-[(2R)-2-hydroxycyclohexyl]-6-(pyridin-3-ylmethoxy)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-N-[(2R)-2-hydroxycyclohexyl]-6-(pyridin-3-ylmethoxy)pyridine-3-carboxamide
PubChem CID69414617
Molecular FormulaC24H24ClN3O3
Molecular Weight437.93 g/mol
Exact Mass437.15
IUPAC Name5-(4-chlorophenyl)-N-[(2R)-2-hydroxycyclohexyl]-6-(pyridin-3-ylmethoxy)pyridine-3-carboxamide
SMILESO=C(NC1CCCC[C@H]1O)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)/t21?,22-/m1/s1
InChIKeyGZANEENHXGTSQQ-FOIFJWKZSA-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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Related Compounds

2-(4-chlorophenoxy)-N-[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]pyridine-3-carboxamide
CID 44586151
2-(4-chlorophenoxy)-N-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-hydroxypropyl]pyridine-3-carboxamide
CID 44586152
N-[2-(4-chlorophenyl)ethyl]-2-ethoxypyridine-3-carboxamide
CID 2481263
6-butoxy-5-(4-chlorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]pyridine-3-carboxamide
CID 11842620
5-(4-chloro-phenyl)-N-((1R,2R)-2-hydroxy-cyclohexyl)-6-(3-methyl-isoxazol-5-ylmethoxy)-nicotinamide
CID 11950060
5-(4-chloro-phenyl)-N-((1R,2R)-2-hydroxy-cyclohexyl)-6-(pyrimidin-2-ylmethoxy)-nicotinamide
CID 11950589
5-(4-chloro-phenyl)-N-((1R,2R)-2-hydroxy-cyclohexyl)-6-(pyridin-4-ylmethoxy)-nicotinamide
CID 11950590
6-(Cyclopentyloxy)-5-[2-chloro-5-(trifluoromethyl)phenyl]-N-[(1beta)-2alpha-hydroxycyclohexyl]pyridine-3-carboxamide
CID 11950958
5-(4-Chloro-phenyl)-6-cyclopropylmethoxy-N-((1R,2R)-2-hydroxy-cyclohexyl)-nicotinamide
CID 11951124
5-[2-chloro-5-(trifluoromethyl)phenyl]-6-(cyclopropylmethoxy)-N-[(1R,2R)-2-hydroxycyclohexyl]pyridine-3-carboxamide
CID 11951128
6-Cyclopropylmethoxy-5-(2,4-dichloro-phenyl)-N-((1R,2R)-2-hydroxy-cyclohexyl)-nicotinamide
CID 11951300
5-(4-Chloro-phenyl)-N-(trans-2-hydroxy-cyclohexyl)-6-(2-methoxy-ethoxy)-nicotinamide
CID 11951302

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-N-[(2R)-2-hydroxycyclohexyl]-6-(pyridin-3-ylmethoxy)pyridine-3-carboxamide?
The IUPAC name of 5-(4-chlorophenyl)-N-[(2R)-2-hydroxycyclohexyl]-6-(pyridin-3-ylmethoxy)pyridine-3-carboxamide (CID 69414617) is 5-(4-chlorophenyl)-N-[(2R)-2-hydroxycyclohexyl]-6-(pyridin-3-ylmethoxy)pyridine-3-carboxamide.
What is the SMILES notation for 5-(4-chlorophenyl)-N-[(2R)-2-hydroxycyclohexyl]-6-(pyridin-3-ylmethoxy)pyridine-3-carboxamide?
The canonical SMILES for 5-(4-chlorophenyl)-N-[(2R)-2-hydroxycyclohexyl]-6-(pyridin-3-ylmethoxy)pyridine-3-carboxamide is O=C(NC1CCCC[C@H]1O)c1cnc(OCc2cccnc2)c(-c2ccc(Cl)cc2)c1.
What is the InChIKey of 5-(4-chlorophenyl)-N-[(2R)-2-hydroxycyclohexyl]-6-(pyridin-3-ylmethoxy)pyridine-3-carboxamide?
The InChIKey is GZANEENHXGTSQQ-FOIFJWKZSA-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)/t21?,22-/m1/s1.
What are the key properties of 5-(4-chlorophenyl)-N-[(2R)-2-hydroxycyclohexyl]-6-(pyridin-3-ylmethoxy)pyridine-3-carboxamide?
5-(4-chlorophenyl)-N-[(2R)-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-[(2R)-2-hydroxycyclohexyl]-6-(pyridin-3-ylmethoxy)pyridine-3-carboxamide is sourced from PubChem (CID 69414617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).