5-(4-chlorophenyl)-N-[(3-methoxy-1,2-oxazol-5-yl)methyl]-6-(1,1,1-trifluoropropan-2-yloxy)pyridine-3-carboxamide

C20H17ClF3N3O4 — CID 66687293

IUPAC5-(4-chlorophenyl)-N-[(3-methoxy-1,2-oxazol-5-yl)methyl]-6-(1,1,1-trifluoropropan-2-yloxy)pyridine-3-carboxamide
SMILESCOc1cc(CNC(=O)c2cnc(OC(C)C(F)(F)F)c(-c3ccc(Cl)cc3)c2)on1
InChIInChI=1S/C20H17ClF3N3O4/c1-11(20(22,23)24)30-19-16(12-3-5-14(21)6-4-12)7-13(9-26-19)18(28)25-10-15-8-17(29-2)27-31-15/h3-9,11H,10H2,1-2H3,(H,25,28)
InChIKeyQAPAHWQMPZPATR-UHFFFAOYSA-N
MW455.82 g/mol
LogP4.66
Rot. Bonds7

About 5-(4-chlorophenyl)-N-[(3-methoxy-1,2-oxazol-5-yl)methyl]-6-(1,1,1-trifluoropropan-2-yloxy)pyridine-3-carboxamide

5-(4-chlorophenyl)-N-[(3-methoxy-1,2-oxazol-5-yl)methyl]-6-(1,1,1-trifluoropropan-2-yloxy)pyridine-3-carboxamide (PubChem CID 66687293) has the molecular formula C20H17ClF3N3O4 and a molecular weight of 455.82 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-N-[(3-methoxy-1,2-oxazol-5-yl)methyl]-6-(1,1,1-trifluoropropan-2-yloxy)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-N-[(3-methoxy-1,2-oxazol-5-yl)methyl]-6-(1,1,1-trifluoropropan-2-yloxy)pyridine-3-carboxamide
PubChem CID66687293
Molecular FormulaC20H17ClF3N3O4
Molecular Weight455.82 g/mol
Exact Mass455.09
IUPAC Name5-(4-chlorophenyl)-N-[(3-methoxy-1,2-oxazol-5-yl)methyl]-6-(1,1,1-trifluoropropan-2-yloxy)pyridine-3-carboxamide
SMILESCOc1cc(CNC(=O)c2cnc(OC(C)C(F)(F)F)c(-c3ccc(Cl)cc3)c2)on1
InChIInChI=1S/C20H17ClF3N3O4/c1-11(20(22,23)24)30-19-16(12-3-5-14(21)6-4-12)7-13(9-26-19)18(28)25-10-15-8-17(29-2)27-31-15/h3-9,11H,10H2,1-2H3,(H,25,28)
InChIKeyQAPAHWQMPZPATR-UHFFFAOYSA-N
XLogP4.66
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.82
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(4-chlorophenyl)-N-[(3-methoxy-1,2-oxazol-5-yl)methyl]-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyridine-3-carboxamide
CID 56928594
4-(4-chlorophenyl)-N-[(3-methoxy-1,2-oxazol-5-yl)methyl]-5-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyridine-2-carboxamide
CID 56928597
5-chloro-3-(4-chlorophenyl)-2-(1,1,1-trifluoropropan-2-yloxy)pyridine
CID 66692587
5-(3,4-difluorophenyl)-6-(2-methoxyethoxy)-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]pyridine-3-carboxamide
CID 56929560
5-(4-fluorophenyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-6-propan-2-yloxypyridine-3-carboxamide
CID 70890699
5-(4-chlorophenyl)-N-[(2S)-2-cyclopropyl-2-hydroxypropyl]-6-[(3-methyl-1,2-oxazol-5-yl)methoxy]pyridine-3-carboxamide
CID 67011762
methyl 5-(4-chlorophenyl)-6-methoxypyridine-3-carboxylate
CID 175171201
5-(4-chlorophenyl)-6-(2,2,2-trifluoroethoxy)-N-[[3-(trifluoromethyl)-1,2-oxazol-5-yl]methyl]pyridazine-3-carboxamide
CID 56929003
5-(4-chlorophenyl)-N-[2-(hydroxymethyl)pentyl]-6-(2-methoxyethoxy)pyridine-3-carboxamide
CID 21109684
6-cyclobutyloxy-5-(3,4-difluorophenyl)-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]pyridine-3-carboxamide
CID 56929464
5-(4-chlorophenyl)-6-cyclobutyloxy-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide;5-(4-chlorophenyl)-6-(2-hydroxyethoxy)-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]pyridine-3-carboxamide
CID 66687182
5-(4-chlorophenyl)-N-(2-cyclopropyl-2-hydroxypropyl)-6-[(5-methyl-1,2-oxazol-3-yl)methoxy]pyridine-3-carboxamide
CID 21109629

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-N-[(3-methoxy-1,2-oxazol-5-yl)methyl]-6-(1,1,1-trifluoropropan-2-yloxy)pyridine-3-carboxamide?
The IUPAC name of 5-(4-chlorophenyl)-N-[(3-methoxy-1,2-oxazol-5-yl)methyl]-6-(1,1,1-trifluoropropan-2-yloxy)pyridine-3-carboxamide (CID 66687293) is 5-(4-chlorophenyl)-N-[(3-methoxy-1,2-oxazol-5-yl)methyl]-6-(1,1,1-trifluoropropan-2-yloxy)pyridine-3-carboxamide.
What is the SMILES notation for 5-(4-chlorophenyl)-N-[(3-methoxy-1,2-oxazol-5-yl)methyl]-6-(1,1,1-trifluoropropan-2-yloxy)pyridine-3-carboxamide?
The canonical SMILES for 5-(4-chlorophenyl)-N-[(3-methoxy-1,2-oxazol-5-yl)methyl]-6-(1,1,1-trifluoropropan-2-yloxy)pyridine-3-carboxamide is COc1cc(CNC(=O)c2cnc(OC(C)C(F)(F)F)c(-c3ccc(Cl)cc3)c2)on1.
What is the InChIKey of 5-(4-chlorophenyl)-N-[(3-methoxy-1,2-oxazol-5-yl)methyl]-6-(1,1,1-trifluoropropan-2-yloxy)pyridine-3-carboxamide?
The InChIKey is QAPAHWQMPZPATR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClF3N3O4/c1-11(20(22,23)24)30-19-16(12-3-5-14(21)6-4-12)7-13(9-26-19)18(28)25-10-15-8-17(29-2)27-31-15/h3-9,11H,10H2,1-2H3,(H,25,28).
What are the key properties of 5-(4-chlorophenyl)-N-[(3-methoxy-1,2-oxazol-5-yl)methyl]-6-(1,1,1-trifluoropropan-2-yloxy)pyridine-3-carboxamide?
5-(4-chlorophenyl)-N-[(3-methoxy-1,2-oxazol-5-yl)methyl]-6-(1,1,1-trifluoropropan-2-yloxy)pyridine-3-carboxamide has a molecular weight of 455.82 g/mol, XLogP of 4.66, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-N-[(3-methoxy-1,2-oxazol-5-yl)methyl]-6-(1,1,1-trifluoropropan-2-yloxy)pyridine-3-carboxamide is sourced from PubChem (CID 66687293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).