5-(4-chlorophenyl)-6-(cyclopropylmethoxy)-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]pyridine-3-carboxamide;5-(4-chlorophenyl)-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide

C44H43Cl2F3N6O6 — CID 66692168

IUPAC5-(4-chlorophenyl)-6-(cyclopropylmethoxy)-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]pyridine-3-carboxamide;5-(4-chlorophenyl)-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
SMILESCC(C)c1cc(CNC(=O)c2cnc(OCC(F)(F)F)c(-c3ccc(Cl)cc3)c2)no1.CC(C)c1cc(CNC(=O)c2cnc(OCC3CC3)c(-c3ccc(Cl)cc3)c2)no1
InChIInChI=1S/C23H24ClN3O3.C21H19ClF3N3O3/c1-14(2)21-10-19(27-30-21)12-25-22(28)17-9-20(16-5-7-18(24)8-6-16)23(26-11-17)29-13-15-3-4-15;1-12(2)18-8-16(28-31-18)10-26-19(29)14-7-17(13-3-5-15(22)6-4-13)20(27-9-14)30-11-21(23,24)25/h5-11,14-15H,3-4,12-13H2,1-2H3,(H,25,28);3-9,12H,10-11H2,1-2H3,(H,26,29)
InChIKeyXTVCQUBBWQVNPC-UHFFFAOYSA-N
MW879.76 g/mol
LogP10.62
Rot. Bonds15

About 5-(4-chlorophenyl)-6-(cyclopropylmethoxy)-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]pyridine-3-carboxamide;5-(4-chlorophenyl)-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide

5-(4-chlorophenyl)-6-(cyclopropylmethoxy)-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]pyridine-3-carboxamide;5-(4-chlorophenyl)-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide (PubChem CID 66692168) has the molecular formula C44H43Cl2F3N6O6 and a molecular weight of 879.76 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-6-(cyclopropylmethoxy)-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]pyridine-3-carboxamide;5-(4-chlorophenyl)-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-6-(cyclopropylmethoxy)-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]pyridine-3-carboxamide;5-(4-chlorophenyl)-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
PubChem CID66692168
Molecular FormulaC44H43Cl2F3N6O6
Molecular Weight879.76 g/mol
Exact Mass878.26
IUPAC Name5-(4-chlorophenyl)-6-(cyclopropylmethoxy)-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]pyridine-3-carboxamide;5-(4-chlorophenyl)-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
SMILESCC(C)c1cc(CNC(=O)c2cnc(OCC(F)(F)F)c(-c3ccc(Cl)cc3)c2)no1.CC(C)c1cc(CNC(=O)c2cnc(OCC3CC3)c(-c3ccc(Cl)cc3)c2)no1
InChIInChI=1S/C23H24ClN3O3.C21H19ClF3N3O3/c1-14(2)21-10-19(27-30-21)12-25-22(28)17-9-20(16-5-7-18(24)8-6-16)23(26-11-17)29-13-15-3-4-15;1-12(2)18-8-16(28-31-18)10-26-19(29)14-7-17(13-3-5-15(22)6-4-13)20(27-9-14)30-11-21(23,24)25/h5-11,14-15H,3-4,12-13H2,1-2H3,(H,25,28);3-9,12H,10-11H2,1-2H3,(H,26,29)
InChIKeyXTVCQUBBWQVNPC-UHFFFAOYSA-N
XLogP10.62
TPSA154.50 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds15
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500879.76
LogP ≤ 510.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 5-(4-chlorophenyl)-6-(cyclopropylmethoxy)-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]pyridine-3-carboxamide;5-(4-chlorophenyl)-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-6-(cyclopropylmethoxy)-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]pyridine-3-carboxamide;5-(4-chlorophenyl)-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The IUPAC name of 5-(4-chlorophenyl)-6-(cyclopropylmethoxy)-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]pyridine-3-carboxamide;5-(4-chlorophenyl)-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide (CID 66692168) is 5-(4-chlorophenyl)-6-(cyclopropylmethoxy)-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]pyridine-3-carboxamide;5-(4-chlorophenyl)-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide.
What is the SMILES notation for 5-(4-chlorophenyl)-6-(cyclopropylmethoxy)-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]pyridine-3-carboxamide;5-(4-chlorophenyl)-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The canonical SMILES for 5-(4-chlorophenyl)-6-(cyclopropylmethoxy)-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]pyridine-3-carboxamide;5-(4-chlorophenyl)-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide is CC(C)c1cc(CNC(=O)c2cnc(OCC(F)(F)F)c(-c3ccc(Cl)cc3)c2)no1.CC(C)c1cc(CNC(=O)c2cnc(OCC3CC3)c(-c3ccc(Cl)cc3)c2)no1.
What is the InChIKey of 5-(4-chlorophenyl)-6-(cyclopropylmethoxy)-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]pyridine-3-carboxamide;5-(4-chlorophenyl)-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The InChIKey is XTVCQUBBWQVNPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN3O3.C21H19ClF3N3O3/c1-14(2)21-10-19(27-30-21)12-25-22(28)17-9-20(16-5-7-18(24)8-6-16)23(26-11-17)29-13-15-3-4-15;1-12(2)18-8-16(28-31-18)10-26-19(29)14-7-17(13-3-5-15(22)6-4-13)20(27-9-14)30-11-21(23,24)25/h5-11,14-15H,3-4,12-13H2,1-2H3,(H,25,28);3-9,12H,10-11H2,1-2H3,(H,26,29).
What are the key properties of 5-(4-chlorophenyl)-6-(cyclopropylmethoxy)-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]pyridine-3-carboxamide;5-(4-chlorophenyl)-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
5-(4-chlorophenyl)-6-(cyclopropylmethoxy)-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]pyridine-3-carboxamide;5-(4-chlorophenyl)-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide has a molecular weight of 879.76 g/mol, XLogP of 10.62, 15 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-6-(cyclopropylmethoxy)-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]pyridine-3-carboxamide;5-(4-chlorophenyl)-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide is sourced from PubChem (CID 66692168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).