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

C25H25ClN2O3 — CID 11951661

IUPAC5-(4-chlorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]-6-phenylmethoxypyridine-3-carboxamide
SMILESO=C(N[C@@H]1CCCC[C@H]1O)c1cnc(OCc2ccccc2)c(-c2ccc(Cl)cc2)c1
InChIInChI=1S/C25H25ClN2O3/c26-20-12-10-18(11-13-20)21-14-19(24(30)28-22-8-4-5-9-23(22)29)15-27-25(21)31-16-17-6-2-1-3-7-17/h1-3,6-7,10-15,22-23,29H,4-5,8-9,16H2,(H,28,30)/t22-,23-/m1/s1
InChIKeyFIOMBLBFVUIYQY-DHIUTWEWSA-N
MW436.94 g/mol
LogP5.01
Rot. Bonds6

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

5-(4-chlorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]-6-phenylmethoxypyridine-3-carboxamide (PubChem CID 11951661) has the molecular formula C25H25ClN2O3 and a molecular weight of 436.94 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]-6-phenylmethoxypyridine-3-carboxamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]-6-phenylmethoxypyridine-3-carboxamide
PubChem CID11951661
Molecular FormulaC25H25ClN2O3
Molecular Weight436.94 g/mol
Exact Mass436.16
IUPAC Name5-(4-chlorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]-6-phenylmethoxypyridine-3-carboxamide
SMILESO=C(N[C@@H]1CCCC[C@H]1O)c1cnc(OCc2ccccc2)c(-c2ccc(Cl)cc2)c1
InChIInChI=1S/C25H25ClN2O3/c26-20-12-10-18(11-13-20)21-14-19(24(30)28-22-8-4-5-9-23(22)29)15-27-25(21)31-16-17-6-2-1-3-7-17/h1-3,6-7,10-15,22-23,29H,4-5,8-9,16H2,(H,28,30)/t22-,23-/m1/s1
InChIKeyFIOMBLBFVUIYQY-DHIUTWEWSA-N
XLogP5.01
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.94
LogP ≤ 55.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]-6-phenylmethoxypyridine-3-carboxamide?
The IUPAC name of 5-(4-chlorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]-6-phenylmethoxypyridine-3-carboxamide (CID 11951661) is 5-(4-chlorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]-6-phenylmethoxypyridine-3-carboxamide.
What is the SMILES notation for 5-(4-chlorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]-6-phenylmethoxypyridine-3-carboxamide?
The canonical SMILES for 5-(4-chlorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]-6-phenylmethoxypyridine-3-carboxamide is O=C(N[C@@H]1CCCC[C@H]1O)c1cnc(OCc2ccccc2)c(-c2ccc(Cl)cc2)c1.
What is the InChIKey of 5-(4-chlorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]-6-phenylmethoxypyridine-3-carboxamide?
The InChIKey is FIOMBLBFVUIYQY-DHIUTWEWSA-N. The full InChI is InChI=1S/C25H25ClN2O3/c26-20-12-10-18(11-13-20)21-14-19(24(30)28-22-8-4-5-9-23(22)29)15-27-25(21)31-16-17-6-2-1-3-7-17/h1-3,6-7,10-15,22-23,29H,4-5,8-9,16H2,(H,28,30)/t22-,23-/m1/s1.
What are the key properties of 5-(4-chlorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]-6-phenylmethoxypyridine-3-carboxamide?
5-(4-chlorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]-6-phenylmethoxypyridine-3-carboxamide has a molecular weight of 436.94 g/mol, XLogP of 5.01, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]-6-phenylmethoxypyridine-3-carboxamide is sourced from PubChem (CID 11951661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).