5-[2-chloro-5-(trifluoromethyl)phenyl]-6-(cyclopropylmethoxy)-N-[(1R,2R)-2-hydroxycyclohexyl]pyridine-3-carboxamide

C23H24ClF3N2O3 — CID 11951128

IUPAC5-[2-chloro-5-(trifluoromethyl)phenyl]-6-(cyclopropylmethoxy)-N-[(1R,2R)-2-hydroxycyclohexyl]pyridine-3-carboxamide
SMILESO=C(N[C@@H]1CCCC[C@H]1O)c1cnc(OCC2CC2)c(-c2cc(C(F)(F)F)ccc2Cl)c1
InChIInChI=1S/C23H24ClF3N2O3/c24-18-8-7-15(23(25,26)27)10-16(18)17-9-14(11-28-22(17)32-12-13-5-6-13)21(31)29-19-3-1-2-4-20(19)30/h7-11,13,19-20,30H,1-6,12H2,(H,29,31)/t19-,20-/m1/s1
InChIKeyNAWPDVZPFVQQOC-WOJBJXKFSA-N
MW468.90 g/mol
LogP5.24
Rot. Bonds6

About 5-[2-chloro-5-(trifluoromethyl)phenyl]-6-(cyclopropylmethoxy)-N-[(1R,2R)-2-hydroxycyclohexyl]pyridine-3-carboxamide

5-[2-chloro-5-(trifluoromethyl)phenyl]-6-(cyclopropylmethoxy)-N-[(1R,2R)-2-hydroxycyclohexyl]pyridine-3-carboxamide (PubChem CID 11951128) has the molecular formula C23H24ClF3N2O3 and a molecular weight of 468.90 g/mol. Its IUPAC name is 5-[2-chloro-5-(trifluoromethyl)phenyl]-6-(cyclopropylmethoxy)-N-[(1R,2R)-2-hydroxycyclohexyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[2-chloro-5-(trifluoromethyl)phenyl]-6-(cyclopropylmethoxy)-N-[(1R,2R)-2-hydroxycyclohexyl]pyridine-3-carboxamide
PubChem CID11951128
Molecular FormulaC23H24ClF3N2O3
Molecular Weight468.90 g/mol
Exact Mass468.14
IUPAC Name5-[2-chloro-5-(trifluoromethyl)phenyl]-6-(cyclopropylmethoxy)-N-[(1R,2R)-2-hydroxycyclohexyl]pyridine-3-carboxamide
SMILESO=C(N[C@@H]1CCCC[C@H]1O)c1cnc(OCC2CC2)c(-c2cc(C(F)(F)F)ccc2Cl)c1
InChIInChI=1S/C23H24ClF3N2O3/c24-18-8-7-15(23(25,26)27)10-16(18)17-9-14(11-28-22(17)32-12-13-5-6-13)21(31)29-19-3-1-2-4-20(19)30/h7-11,13,19-20,30H,1-6,12H2,(H,29,31)/t19-,20-/m1/s1
InChIKeyNAWPDVZPFVQQOC-WOJBJXKFSA-N
XLogP5.24
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.90
LogP ≤ 55.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[2-chloro-5-(trifluoromethyl)phenyl]-6-(cyclopropylmethoxy)-N-[(1R,2R)-2-hydroxycyclohexyl]pyridine-3-carboxamide?
The IUPAC name of 5-[2-chloro-5-(trifluoromethyl)phenyl]-6-(cyclopropylmethoxy)-N-[(1R,2R)-2-hydroxycyclohexyl]pyridine-3-carboxamide (CID 11951128) is 5-[2-chloro-5-(trifluoromethyl)phenyl]-6-(cyclopropylmethoxy)-N-[(1R,2R)-2-hydroxycyclohexyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-[2-chloro-5-(trifluoromethyl)phenyl]-6-(cyclopropylmethoxy)-N-[(1R,2R)-2-hydroxycyclohexyl]pyridine-3-carboxamide?
The canonical SMILES for 5-[2-chloro-5-(trifluoromethyl)phenyl]-6-(cyclopropylmethoxy)-N-[(1R,2R)-2-hydroxycyclohexyl]pyridine-3-carboxamide is O=C(N[C@@H]1CCCC[C@H]1O)c1cnc(OCC2CC2)c(-c2cc(C(F)(F)F)ccc2Cl)c1.
What is the InChIKey of 5-[2-chloro-5-(trifluoromethyl)phenyl]-6-(cyclopropylmethoxy)-N-[(1R,2R)-2-hydroxycyclohexyl]pyridine-3-carboxamide?
The InChIKey is NAWPDVZPFVQQOC-WOJBJXKFSA-N. The full InChI is InChI=1S/C23H24ClF3N2O3/c24-18-8-7-15(23(25,26)27)10-16(18)17-9-14(11-28-22(17)32-12-13-5-6-13)21(31)29-19-3-1-2-4-20(19)30/h7-11,13,19-20,30H,1-6,12H2,(H,29,31)/t19-,20-/m1/s1.
What are the key properties of 5-[2-chloro-5-(trifluoromethyl)phenyl]-6-(cyclopropylmethoxy)-N-[(1R,2R)-2-hydroxycyclohexyl]pyridine-3-carboxamide?
5-[2-chloro-5-(trifluoromethyl)phenyl]-6-(cyclopropylmethoxy)-N-[(1R,2R)-2-hydroxycyclohexyl]pyridine-3-carboxamide has a molecular weight of 468.90 g/mol, XLogP of 5.24, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-chloro-5-(trifluoromethyl)phenyl]-6-(cyclopropylmethoxy)-N-[(1R,2R)-2-hydroxycyclohexyl]pyridine-3-carboxamide is sourced from PubChem (CID 11951128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).