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

C23H27ClN2O3 — CID 24856504

IUPAC5-(4-chlorophenyl)-6-cyclopentyloxy-N-[(1R,2R)-2-hydroxycyclohexyl]pyridine-3-carboxamide
SMILESO=C(N[C@@H]1CCCC[C@H]1O)c1cnc(OC2CCCC2)c(-c2ccc(Cl)cc2)c1
InChIInChI=1S/C23H27ClN2O3/c24-17-11-9-15(10-12-17)19-13-16(14-25-23(19)29-18-5-1-2-6-18)22(28)26-20-7-3-4-8-21(20)27/h9-14,18,20-21,27H,1-8H2,(H,26,28)/t20-,21-/m1/s1
InChIKeyBZPFVRQBUZSLQH-NHCUHLMSSA-N
MW414.93 g/mol
LogP4.76
Rot. Bonds5

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

5-(4-chlorophenyl)-6-cyclopentyloxy-N-[(1R,2R)-2-hydroxycyclohexyl]pyridine-3-carboxamide (PubChem CID 24856504) has the molecular formula C23H27ClN2O3 and a molecular weight of 414.93 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-6-cyclopentyloxy-N-[(1R,2R)-2-hydroxycyclohexyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-6-cyclopentyloxy-N-[(1R,2R)-2-hydroxycyclohexyl]pyridine-3-carboxamide
PubChem CID24856504
Molecular FormulaC23H27ClN2O3
Molecular Weight414.93 g/mol
Exact Mass414.17
IUPAC Name5-(4-chlorophenyl)-6-cyclopentyloxy-N-[(1R,2R)-2-hydroxycyclohexyl]pyridine-3-carboxamide
SMILESO=C(N[C@@H]1CCCC[C@H]1O)c1cnc(OC2CCCC2)c(-c2ccc(Cl)cc2)c1
InChIInChI=1S/C23H27ClN2O3/c24-17-11-9-15(10-12-17)19-13-16(14-25-23(19)29-18-5-1-2-6-18)22(28)26-20-7-3-4-8-21(20)27/h9-14,18,20-21,27H,1-8H2,(H,26,28)/t20-,21-/m1/s1
InChIKeyBZPFVRQBUZSLQH-NHCUHLMSSA-N
XLogP4.76
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.93
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-6-cyclopentyloxy-N-[(1R,2R)-2-hydroxycyclohexyl]pyridine-3-carboxamide?
The IUPAC name of 5-(4-chlorophenyl)-6-cyclopentyloxy-N-[(1R,2R)-2-hydroxycyclohexyl]pyridine-3-carboxamide (CID 24856504) is 5-(4-chlorophenyl)-6-cyclopentyloxy-N-[(1R,2R)-2-hydroxycyclohexyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-(4-chlorophenyl)-6-cyclopentyloxy-N-[(1R,2R)-2-hydroxycyclohexyl]pyridine-3-carboxamide?
The canonical SMILES for 5-(4-chlorophenyl)-6-cyclopentyloxy-N-[(1R,2R)-2-hydroxycyclohexyl]pyridine-3-carboxamide is O=C(N[C@@H]1CCCC[C@H]1O)c1cnc(OC2CCCC2)c(-c2ccc(Cl)cc2)c1.
What is the InChIKey of 5-(4-chlorophenyl)-6-cyclopentyloxy-N-[(1R,2R)-2-hydroxycyclohexyl]pyridine-3-carboxamide?
The InChIKey is BZPFVRQBUZSLQH-NHCUHLMSSA-N. The full InChI is InChI=1S/C23H27ClN2O3/c24-17-11-9-15(10-12-17)19-13-16(14-25-23(19)29-18-5-1-2-6-18)22(28)26-20-7-3-4-8-21(20)27/h9-14,18,20-21,27H,1-8H2,(H,26,28)/t20-,21-/m1/s1.
What are the key properties of 5-(4-chlorophenyl)-6-cyclopentyloxy-N-[(1R,2R)-2-hydroxycyclohexyl]pyridine-3-carboxamide?
5-(4-chlorophenyl)-6-cyclopentyloxy-N-[(1R,2R)-2-hydroxycyclohexyl]pyridine-3-carboxamide has a molecular weight of 414.93 g/mol, XLogP of 4.76, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-6-cyclopentyloxy-N-[(1R,2R)-2-hydroxycyclohexyl]pyridine-3-carboxamide is sourced from PubChem (CID 24856504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).