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

C25H25ClFN3O2 — CID 24797618

IUPAC5-(4-chlorophenyl)-6-[2-(5-fluoro-2-pyridinyl)ethyl]-N-[(1R,2R)-2-hydroxycyclohexyl]pyridine-3-carboxamide
SMILESO=C(N[C@@H]1CCCC[C@H]1O)c1cnc(CCc2ccc(F)cn2)c(-c2ccc(Cl)cc2)c1
InChIInChI=1S/C25H25ClFN3O2/c26-18-7-5-16(6-8-18)21-13-17(25(32)30-23-3-1-2-4-24(23)31)14-29-22(21)12-11-20-10-9-19(27)15-28-20/h5-10,13-15,23-24,31H,1-4,11-12H2,(H,30,32)/t23-,24-/m1/s1
InChIKeyNSRDSFFLMABDOO-DNQXCXABSA-N
MW453.95 g/mol
LogP4.75
Rot. Bonds6

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

5-(4-chlorophenyl)-6-[2-(5-fluoro-2-pyridinyl)ethyl]-N-[(1R,2R)-2-hydroxycyclohexyl]pyridine-3-carboxamide (PubChem CID 24797618) has the molecular formula C25H25ClFN3O2 and a molecular weight of 453.95 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-6-[2-(5-fluoro-2-pyridinyl)ethyl]-N-[(1R,2R)-2-hydroxycyclohexyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-6-[2-(5-fluoro-2-pyridinyl)ethyl]-N-[(1R,2R)-2-hydroxycyclohexyl]pyridine-3-carboxamide
PubChem CID24797618
Molecular FormulaC25H25ClFN3O2
Molecular Weight453.95 g/mol
Exact Mass453.16
IUPAC Name5-(4-chlorophenyl)-6-[2-(5-fluoro-2-pyridinyl)ethyl]-N-[(1R,2R)-2-hydroxycyclohexyl]pyridine-3-carboxamide
SMILESO=C(N[C@@H]1CCCC[C@H]1O)c1cnc(CCc2ccc(F)cn2)c(-c2ccc(Cl)cc2)c1
InChIInChI=1S/C25H25ClFN3O2/c26-18-7-5-16(6-8-18)21-13-17(25(32)30-23-3-1-2-4-24(23)31)14-29-22(21)12-11-20-10-9-19(27)15-28-20/h5-10,13-15,23-24,31H,1-4,11-12H2,(H,30,32)/t23-,24-/m1/s1
InChIKeyNSRDSFFLMABDOO-DNQXCXABSA-N
XLogP4.75
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.95
LogP ≤ 54.75
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-[2-(5-fluoro-2-pyridinyl)ethyl]-N-[(1R,2R)-2-hydroxycyclohexyl]pyridine-3-carboxamide?
The IUPAC name of 5-(4-chlorophenyl)-6-[2-(5-fluoro-2-pyridinyl)ethyl]-N-[(1R,2R)-2-hydroxycyclohexyl]pyridine-3-carboxamide (CID 24797618) is 5-(4-chlorophenyl)-6-[2-(5-fluoro-2-pyridinyl)ethyl]-N-[(1R,2R)-2-hydroxycyclohexyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-(4-chlorophenyl)-6-[2-(5-fluoro-2-pyridinyl)ethyl]-N-[(1R,2R)-2-hydroxycyclohexyl]pyridine-3-carboxamide?
The canonical SMILES for 5-(4-chlorophenyl)-6-[2-(5-fluoro-2-pyridinyl)ethyl]-N-[(1R,2R)-2-hydroxycyclohexyl]pyridine-3-carboxamide is O=C(N[C@@H]1CCCC[C@H]1O)c1cnc(CCc2ccc(F)cn2)c(-c2ccc(Cl)cc2)c1.
What is the InChIKey of 5-(4-chlorophenyl)-6-[2-(5-fluoro-2-pyridinyl)ethyl]-N-[(1R,2R)-2-hydroxycyclohexyl]pyridine-3-carboxamide?
The InChIKey is NSRDSFFLMABDOO-DNQXCXABSA-N. The full InChI is InChI=1S/C25H25ClFN3O2/c26-18-7-5-16(6-8-18)21-13-17(25(32)30-23-3-1-2-4-24(23)31)14-29-22(21)12-11-20-10-9-19(27)15-28-20/h5-10,13-15,23-24,31H,1-4,11-12H2,(H,30,32)/t23-,24-/m1/s1.
What are the key properties of 5-(4-chlorophenyl)-6-[2-(5-fluoro-2-pyridinyl)ethyl]-N-[(1R,2R)-2-hydroxycyclohexyl]pyridine-3-carboxamide?
5-(4-chlorophenyl)-6-[2-(5-fluoro-2-pyridinyl)ethyl]-N-[(1R,2R)-2-hydroxycyclohexyl]pyridine-3-carboxamide has a molecular weight of 453.95 g/mol, XLogP of 4.75, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-6-[2-(5-fluoro-2-pyridinyl)ethyl]-N-[(1R,2R)-2-hydroxycyclohexyl]pyridine-3-carboxamide is sourced from PubChem (CID 24797618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).