5-amino-N-hexyl-N-[(4-methoxyphenyl)methyl]-3-(trifluoromethyl)-6-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]pyridine-2-carboxamide

C24H25F6N5O3 — CID 169136816

IUPAC5-amino-N-hexyl-N-[(4-methoxyphenyl)methyl]-3-(trifluoromethyl)-6-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]pyridine-2-carboxamide
SMILESCCCCCCN(Cc1ccc(OC)cc1)C(=O)c1nc(-c2nnc(C(F)(F)F)o2)c(N)cc1C(F)(F)F
InChIInChI=1S/C24H25F6N5O3/c1-3-4-5-6-11-35(13-14-7-9-15(37-2)10-8-14)21(36)18-16(23(25,26)27)12-17(31)19(32-18)20-33-34-22(38-20)24(28,29)30/h7-10,12H,3-6,11,13,31H2,1-2H3
InChIKeyIWJDRSDFLUIEOY-UHFFFAOYSA-N
MW545.48 g/mol
LogP5.98
Rot. Bonds10

About 5-amino-N-hexyl-N-[(4-methoxyphenyl)methyl]-3-(trifluoromethyl)-6-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]pyridine-2-carboxamide

5-amino-N-hexyl-N-[(4-methoxyphenyl)methyl]-3-(trifluoromethyl)-6-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]pyridine-2-carboxamide (PubChem CID 169136816) has the molecular formula C24H25F6N5O3 and a molecular weight of 545.48 g/mol. Its IUPAC name is 5-amino-N-hexyl-N-[(4-methoxyphenyl)methyl]-3-(trifluoromethyl)-6-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-amino-N-hexyl-N-[(4-methoxyphenyl)methyl]-3-(trifluoromethyl)-6-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]pyridine-2-carboxamide
PubChem CID169136816
Molecular FormulaC24H25F6N5O3
Molecular Weight545.48 g/mol
Exact Mass545.19
IUPAC Name5-amino-N-hexyl-N-[(4-methoxyphenyl)methyl]-3-(trifluoromethyl)-6-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]pyridine-2-carboxamide
SMILESCCCCCCN(Cc1ccc(OC)cc1)C(=O)c1nc(-c2nnc(C(F)(F)F)o2)c(N)cc1C(F)(F)F
InChIInChI=1S/C24H25F6N5O3/c1-3-4-5-6-11-35(13-14-7-9-15(37-2)10-8-14)21(36)18-16(23(25,26)27)12-17(31)19(32-18)20-33-34-22(38-20)24(28,29)30/h7-10,12H,3-6,11,13,31H2,1-2H3
InChIKeyIWJDRSDFLUIEOY-UHFFFAOYSA-N
XLogP5.98
TPSA107.37 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500545.48
LogP ≤ 55.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-hexyl-N-[(4-methoxyphenyl)methyl]-3-(trifluoromethyl)-6-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]pyridine-2-carboxamide?
The IUPAC name of 5-amino-N-hexyl-N-[(4-methoxyphenyl)methyl]-3-(trifluoromethyl)-6-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]pyridine-2-carboxamide (CID 169136816) is 5-amino-N-hexyl-N-[(4-methoxyphenyl)methyl]-3-(trifluoromethyl)-6-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]pyridine-2-carboxamide.
What is the SMILES notation for 5-amino-N-hexyl-N-[(4-methoxyphenyl)methyl]-3-(trifluoromethyl)-6-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]pyridine-2-carboxamide?
The canonical SMILES for 5-amino-N-hexyl-N-[(4-methoxyphenyl)methyl]-3-(trifluoromethyl)-6-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]pyridine-2-carboxamide is CCCCCCN(Cc1ccc(OC)cc1)C(=O)c1nc(-c2nnc(C(F)(F)F)o2)c(N)cc1C(F)(F)F.
What is the InChIKey of 5-amino-N-hexyl-N-[(4-methoxyphenyl)methyl]-3-(trifluoromethyl)-6-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]pyridine-2-carboxamide?
The InChIKey is IWJDRSDFLUIEOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F6N5O3/c1-3-4-5-6-11-35(13-14-7-9-15(37-2)10-8-14)21(36)18-16(23(25,26)27)12-17(31)19(32-18)20-33-34-22(38-20)24(28,29)30/h7-10,12H,3-6,11,13,31H2,1-2H3.
What are the key properties of 5-amino-N-hexyl-N-[(4-methoxyphenyl)methyl]-3-(trifluoromethyl)-6-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]pyridine-2-carboxamide?
5-amino-N-hexyl-N-[(4-methoxyphenyl)methyl]-3-(trifluoromethyl)-6-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]pyridine-2-carboxamide has a molecular weight of 545.48 g/mol, XLogP of 5.98, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-hexyl-N-[(4-methoxyphenyl)methyl]-3-(trifluoromethyl)-6-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]pyridine-2-carboxamide is sourced from PubChem (CID 169136816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).