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

C23H27ClN2O2 — CID 24797443

IUPAC5-(4-chlorophenyl)-6-(2-cyclopropylethyl)-N-[(1R,2R)-2-hydroxycyclohexyl]pyridine-3-carboxamide
SMILESO=C(N[C@@H]1CCCC[C@H]1O)c1cnc(CCC2CC2)c(-c2ccc(Cl)cc2)c1
InChIInChI=1S/C23H27ClN2O2/c24-18-10-8-16(9-11-18)19-13-17(14-25-20(19)12-7-15-5-6-15)23(28)26-21-3-1-2-4-22(21)27/h8-11,13-15,21-22,27H,1-7,12H2,(H,26,28)/t21-,22-/m1/s1
InChIKeyDBDDKEGAVGGJFN-FGZHOGPDSA-N
MW398.93 g/mol
LogP4.78
Rot. Bonds6

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

5-(4-chlorophenyl)-6-(2-cyclopropylethyl)-N-[(1R,2R)-2-hydroxycyclohexyl]pyridine-3-carboxamide (PubChem CID 24797443) has the molecular formula C23H27ClN2O2 and a molecular weight of 398.93 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-6-(2-cyclopropylethyl)-N-[(1R,2R)-2-hydroxycyclohexyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-6-(2-cyclopropylethyl)-N-[(1R,2R)-2-hydroxycyclohexyl]pyridine-3-carboxamide
PubChem CID24797443
Molecular FormulaC23H27ClN2O2
Molecular Weight398.93 g/mol
Exact Mass398.18
IUPAC Name5-(4-chlorophenyl)-6-(2-cyclopropylethyl)-N-[(1R,2R)-2-hydroxycyclohexyl]pyridine-3-carboxamide
SMILESO=C(N[C@@H]1CCCC[C@H]1O)c1cnc(CCC2CC2)c(-c2ccc(Cl)cc2)c1
InChIInChI=1S/C23H27ClN2O2/c24-18-10-8-16(9-11-18)19-13-17(14-25-20(19)12-7-15-5-6-15)23(28)26-21-3-1-2-4-22(21)27/h8-11,13-15,21-22,27H,1-7,12H2,(H,26,28)/t21-,22-/m1/s1
InChIKeyDBDDKEGAVGGJFN-FGZHOGPDSA-N
XLogP4.78
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.93
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-6-(2-cyclopropylethyl)-N-[(1R,2R)-2-hydroxycyclohexyl]pyridine-3-carboxamide?
The IUPAC name of 5-(4-chlorophenyl)-6-(2-cyclopropylethyl)-N-[(1R,2R)-2-hydroxycyclohexyl]pyridine-3-carboxamide (CID 24797443) is 5-(4-chlorophenyl)-6-(2-cyclopropylethyl)-N-[(1R,2R)-2-hydroxycyclohexyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-(4-chlorophenyl)-6-(2-cyclopropylethyl)-N-[(1R,2R)-2-hydroxycyclohexyl]pyridine-3-carboxamide?
The canonical SMILES for 5-(4-chlorophenyl)-6-(2-cyclopropylethyl)-N-[(1R,2R)-2-hydroxycyclohexyl]pyridine-3-carboxamide is O=C(N[C@@H]1CCCC[C@H]1O)c1cnc(CCC2CC2)c(-c2ccc(Cl)cc2)c1.
What is the InChIKey of 5-(4-chlorophenyl)-6-(2-cyclopropylethyl)-N-[(1R,2R)-2-hydroxycyclohexyl]pyridine-3-carboxamide?
The InChIKey is DBDDKEGAVGGJFN-FGZHOGPDSA-N. The full InChI is InChI=1S/C23H27ClN2O2/c24-18-10-8-16(9-11-18)19-13-17(14-25-20(19)12-7-15-5-6-15)23(28)26-21-3-1-2-4-22(21)27/h8-11,13-15,21-22,27H,1-7,12H2,(H,26,28)/t21-,22-/m1/s1.
What are the key properties of 5-(4-chlorophenyl)-6-(2-cyclopropylethyl)-N-[(1R,2R)-2-hydroxycyclohexyl]pyridine-3-carboxamide?
5-(4-chlorophenyl)-6-(2-cyclopropylethyl)-N-[(1R,2R)-2-hydroxycyclohexyl]pyridine-3-carboxamide has a molecular weight of 398.93 g/mol, XLogP of 4.78, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-6-(2-cyclopropylethyl)-N-[(1R,2R)-2-hydroxycyclohexyl]pyridine-3-carboxamide is sourced from PubChem (CID 24797443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).