5-(4-chlorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]-6-(pyridin-4-ylmethoxy)pyridine-3-carboxamide

C24H24ClN3O3 — CID 11950590

IUPAC5-(4-chlorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]-6-(pyridin-4-ylmethoxy)pyridine-3-carboxamide
SMILESO=C(N[C@@H]1CCCC[C@H]1O)c1cnc(OCc2ccncc2)c(-c2ccc(Cl)cc2)c1
InChIInChI=1S/C24H24ClN3O3/c25-19-7-5-17(6-8-19)20-13-18(23(30)28-21-3-1-2-4-22(21)29)14-27-24(20)31-15-16-9-11-26-12-10-16/h5-14,21-22,29H,1-4,15H2,(H,28,30)/t21-,22-/m1/s1
InChIKeyRESZTQWSVRJAHG-FGZHOGPDSA-N
MW437.93 g/mol
LogP4.41
Rot. Bonds6

About 5-(4-chlorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]-6-(pyridin-4-ylmethoxy)pyridine-3-carboxamide

5-(4-chlorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]-6-(pyridin-4-ylmethoxy)pyridine-3-carboxamide (PubChem CID 11950590) has the molecular formula C24H24ClN3O3 and a molecular weight of 437.93 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]-6-(pyridin-4-ylmethoxy)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]-6-(pyridin-4-ylmethoxy)pyridine-3-carboxamide
PubChem CID11950590
Molecular FormulaC24H24ClN3O3
Molecular Weight437.93 g/mol
Exact Mass437.15
IUPAC Name5-(4-chlorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]-6-(pyridin-4-ylmethoxy)pyridine-3-carboxamide
SMILESO=C(N[C@@H]1CCCC[C@H]1O)c1cnc(OCc2ccncc2)c(-c2ccc(Cl)cc2)c1
InChIInChI=1S/C24H24ClN3O3/c25-19-7-5-17(6-8-19)20-13-18(23(30)28-21-3-1-2-4-22(21)29)14-27-24(20)31-15-16-9-11-26-12-10-16/h5-14,21-22,29H,1-4,15H2,(H,28,30)/t21-,22-/m1/s1
InChIKeyRESZTQWSVRJAHG-FGZHOGPDSA-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

CID 11842620
CID 11842620
CID 11950060
CID 11950060
CID 11950589
CID 11950589
CID 11950958
CID 11950958
CID 11951124
CID 11951124
CID 11951128
CID 11951128
CID 11951300
CID 11951300
CID 11951302
CID 11951302
CID 11951655
CID 11951655
CID 11951656
CID 11951656
CID 11951661
CID 11951661
CID 11952383
CID 11952383

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]-6-(pyridin-4-ylmethoxy)pyridine-3-carboxamide?
The IUPAC name of 5-(4-chlorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]-6-(pyridin-4-ylmethoxy)pyridine-3-carboxamide (CID 11950590) is 5-(4-chlorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]-6-(pyridin-4-ylmethoxy)pyridine-3-carboxamide.
What is the SMILES notation for 5-(4-chlorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]-6-(pyridin-4-ylmethoxy)pyridine-3-carboxamide?
The canonical SMILES for 5-(4-chlorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]-6-(pyridin-4-ylmethoxy)pyridine-3-carboxamide is O=C(N[C@@H]1CCCC[C@H]1O)c1cnc(OCc2ccncc2)c(-c2ccc(Cl)cc2)c1.
What is the InChIKey of 5-(4-chlorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]-6-(pyridin-4-ylmethoxy)pyridine-3-carboxamide?
The InChIKey is RESZTQWSVRJAHG-FGZHOGPDSA-N. The full InChI is InChI=1S/C24H24ClN3O3/c25-19-7-5-17(6-8-19)20-13-18(23(30)28-21-3-1-2-4-22(21)29)14-27-24(20)31-15-16-9-11-26-12-10-16/h5-14,21-22,29H,1-4,15H2,(H,28,30)/t21-,22-/m1/s1.
What are the key properties of 5-(4-chlorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]-6-(pyridin-4-ylmethoxy)pyridine-3-carboxamide?
5-(4-chlorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]-6-(pyridin-4-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-[(1R,2R)-2-hydroxycyclohexyl]-6-(pyridin-4-ylmethoxy)pyridine-3-carboxamide is sourced from PubChem (CID 11950590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).