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

C20H16ClF3N4O3 — CID 56928377

IUPAC4-(4-chlorophenyl)-5-(cyclopropylmethoxy)-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]pyridine-2-carboxamide
SMILESO=C(NCc1nc(C(F)(F)F)no1)c1cc(-c2ccc(Cl)cc2)c(OCC2CC2)cn1
InChIInChI=1S/C20H16ClF3N4O3/c21-13-5-3-12(4-6-13)14-7-15(25-8-16(14)30-10-11-1-2-11)18(29)26-9-17-27-19(28-31-17)20(22,23)24/h3-8,11H,1-2,9-10H2,(H,26,29)
InChIKeyVMNLVOQOBQHDAY-UHFFFAOYSA-N
MW452.82 g/mol
LogP4.52
Rot. Bonds7

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

4-(4-chlorophenyl)-5-(cyclopropylmethoxy)-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]pyridine-2-carboxamide (PubChem CID 56928377) has the molecular formula C20H16ClF3N4O3 and a molecular weight of 452.82 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-5-(cyclopropylmethoxy)-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(4-chlorophenyl)-5-(cyclopropylmethoxy)-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]pyridine-2-carboxamide
PubChem CID56928377
Molecular FormulaC20H16ClF3N4O3
Molecular Weight452.82 g/mol
Exact Mass452.09
IUPAC Name4-(4-chlorophenyl)-5-(cyclopropylmethoxy)-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]pyridine-2-carboxamide
SMILESO=C(NCc1nc(C(F)(F)F)no1)c1cc(-c2ccc(Cl)cc2)c(OCC2CC2)cn1
InChIInChI=1S/C20H16ClF3N4O3/c21-13-5-3-12(4-6-13)14-7-15(25-8-16(14)30-10-11-1-2-11)18(29)26-9-17-27-19(28-31-17)20(22,23)24/h3-8,11H,1-2,9-10H2,(H,26,29)
InChIKeyVMNLVOQOBQHDAY-UHFFFAOYSA-N
XLogP4.52
TPSA90.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.82
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-5-(cyclopropylmethoxy)-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]pyridine-2-carboxamide?
The IUPAC name of 4-(4-chlorophenyl)-5-(cyclopropylmethoxy)-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]pyridine-2-carboxamide (CID 56928377) is 4-(4-chlorophenyl)-5-(cyclopropylmethoxy)-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]pyridine-2-carboxamide.
What is the SMILES notation for 4-(4-chlorophenyl)-5-(cyclopropylmethoxy)-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]pyridine-2-carboxamide?
The canonical SMILES for 4-(4-chlorophenyl)-5-(cyclopropylmethoxy)-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]pyridine-2-carboxamide is O=C(NCc1nc(C(F)(F)F)no1)c1cc(-c2ccc(Cl)cc2)c(OCC2CC2)cn1.
What is the InChIKey of 4-(4-chlorophenyl)-5-(cyclopropylmethoxy)-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]pyridine-2-carboxamide?
The InChIKey is VMNLVOQOBQHDAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClF3N4O3/c21-13-5-3-12(4-6-13)14-7-15(25-8-16(14)30-10-11-1-2-11)18(29)26-9-17-27-19(28-31-17)20(22,23)24/h3-8,11H,1-2,9-10H2,(H,26,29).
What are the key properties of 4-(4-chlorophenyl)-5-(cyclopropylmethoxy)-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]pyridine-2-carboxamide?
4-(4-chlorophenyl)-5-(cyclopropylmethoxy)-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]pyridine-2-carboxamide has a molecular weight of 452.82 g/mol, XLogP of 4.52, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-5-(cyclopropylmethoxy)-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]pyridine-2-carboxamide is sourced from PubChem (CID 56928377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).