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

C24H23ClN2O3 — CID 24857341

IUPAC5-(4-chlorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]-6-phenoxypyridine-3-carboxamide
SMILESO=C(N[C@@H]1CCCC[C@H]1O)c1cnc(Oc2ccccc2)c(-c2ccc(Cl)cc2)c1
InChIInChI=1S/C24H23ClN2O3/c25-18-12-10-16(11-13-18)20-14-17(23(29)27-21-8-4-5-9-22(21)28)15-26-24(20)30-19-6-2-1-3-7-19/h1-3,6-7,10-15,21-22,28H,4-5,8-9H2,(H,27,29)/t21-,22-/m1/s1
InChIKeyVRGKJDHYJZFRMQ-FGZHOGPDSA-N
MW422.91 g/mol
LogP5.23
Rot. Bonds5

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

5-(4-chlorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]-6-phenoxypyridine-3-carboxamide (PubChem CID 24857341) has the molecular formula C24H23ClN2O3 and a molecular weight of 422.91 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]-6-phenoxypyridine-3-carboxamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]-6-phenoxypyridine-3-carboxamide
PubChem CID24857341
Molecular FormulaC24H23ClN2O3
Molecular Weight422.91 g/mol
Exact Mass422.14
IUPAC Name5-(4-chlorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]-6-phenoxypyridine-3-carboxamide
SMILESO=C(N[C@@H]1CCCC[C@H]1O)c1cnc(Oc2ccccc2)c(-c2ccc(Cl)cc2)c1
InChIInChI=1S/C24H23ClN2O3/c25-18-12-10-16(11-13-18)20-14-17(23(29)27-21-8-4-5-9-22(21)28)15-26-24(20)30-19-6-2-1-3-7-19/h1-3,6-7,10-15,21-22,28H,4-5,8-9H2,(H,27,29)/t21-,22-/m1/s1
InChIKeyVRGKJDHYJZFRMQ-FGZHOGPDSA-N
XLogP5.23
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.91
LogP ≤ 55.23
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-phenoxypyridine-3-carboxamide?
The IUPAC name of 5-(4-chlorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]-6-phenoxypyridine-3-carboxamide (CID 24857341) is 5-(4-chlorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]-6-phenoxypyridine-3-carboxamide.
What is the SMILES notation for 5-(4-chlorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]-6-phenoxypyridine-3-carboxamide?
The canonical SMILES for 5-(4-chlorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]-6-phenoxypyridine-3-carboxamide is O=C(N[C@@H]1CCCC[C@H]1O)c1cnc(Oc2ccccc2)c(-c2ccc(Cl)cc2)c1.
What is the InChIKey of 5-(4-chlorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]-6-phenoxypyridine-3-carboxamide?
The InChIKey is VRGKJDHYJZFRMQ-FGZHOGPDSA-N. The full InChI is InChI=1S/C24H23ClN2O3/c25-18-12-10-16(11-13-18)20-14-17(23(29)27-21-8-4-5-9-22(21)28)15-26-24(20)30-19-6-2-1-3-7-19/h1-3,6-7,10-15,21-22,28H,4-5,8-9H2,(H,27,29)/t21-,22-/m1/s1.
What are the key properties of 5-(4-chlorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]-6-phenoxypyridine-3-carboxamide?
5-(4-chlorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]-6-phenoxypyridine-3-carboxamide has a molecular weight of 422.91 g/mol, XLogP of 5.23, 5 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-phenoxypyridine-3-carboxamide is sourced from PubChem (CID 24857341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).