5-(4-chlorophenyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide

C18H14ClF3N4O3 — CID 56929463

IUPAC5-(4-chlorophenyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
SMILESCc1noc(CNC(=O)c2cnc(OCC(F)(F)F)c(-c3ccc(Cl)cc3)c2)n1
InChIInChI=1S/C18H14ClF3N4O3/c1-10-25-15(29-26-10)8-23-16(27)12-6-14(11-2-4-13(19)5-3-11)17(24-7-12)28-9-18(20,21)22/h2-7H,8-9H2,1H3,(H,23,27)
InChIKeyMVRIPGHCEDQDTQ-UHFFFAOYSA-N
MW426.78 g/mol
LogP3.96
Rot. Bonds6

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

5-(4-chlorophenyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide (PubChem CID 56929463) has the molecular formula C18H14ClF3N4O3 and a molecular weight of 426.78 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
PubChem CID56929463
Molecular FormulaC18H14ClF3N4O3
Molecular Weight426.78 g/mol
Exact Mass426.07
IUPAC Name5-(4-chlorophenyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
SMILESCc1noc(CNC(=O)c2cnc(OCC(F)(F)F)c(-c3ccc(Cl)cc3)c2)n1
InChIInChI=1S/C18H14ClF3N4O3/c1-10-25-15(29-26-10)8-23-16(27)12-6-14(11-2-4-13(19)5-3-11)17(24-7-12)28-9-18(20,21)22/h2-7H,8-9H2,1H3,(H,23,27)
InChIKeyMVRIPGHCEDQDTQ-UHFFFAOYSA-N
XLogP3.96
TPSA90.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.78
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The IUPAC name of 5-(4-chlorophenyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide (CID 56929463) is 5-(4-chlorophenyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide.
What is the SMILES notation for 5-(4-chlorophenyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The canonical SMILES for 5-(4-chlorophenyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide is Cc1noc(CNC(=O)c2cnc(OCC(F)(F)F)c(-c3ccc(Cl)cc3)c2)n1.
What is the InChIKey of 5-(4-chlorophenyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The InChIKey is MVRIPGHCEDQDTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClF3N4O3/c1-10-25-15(29-26-10)8-23-16(27)12-6-14(11-2-4-13(19)5-3-11)17(24-7-12)28-9-18(20,21)22/h2-7H,8-9H2,1H3,(H,23,27).
What are the key properties of 5-(4-chlorophenyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
5-(4-chlorophenyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide has a molecular weight of 426.78 g/mol, XLogP of 3.96, 6 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-methyl-1,2,4-oxadiazol-5-yl)methyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide is sourced from PubChem (CID 56929463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).