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

C17H12Cl2F3N5O2 — CID 10072230

IUPAC6-(2,4-dichloroanilino)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-4-(trifluoromethyl)pyridine-3-carboxamide
SMILESCc1nnc(CNC(=O)c2cnc(Nc3ccc(Cl)cc3Cl)cc2C(F)(F)F)o1
InChIInChI=1S/C17H12Cl2F3N5O2/c1-8-26-27-15(29-8)7-24-16(28)10-6-23-14(5-11(10)17(20,21)22)25-13-3-2-9(18)4-12(13)19/h2-6H,7H2,1H3,(H,23,25)(H,24,28)
InChIKeyXUNFJZZWUWASMZ-UHFFFAOYSA-N
MW446.22 g/mol
LogP4.77
Rot. Bonds5

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

6-(2,4-dichloroanilino)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-4-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 10072230) has the molecular formula C17H12Cl2F3N5O2 and a molecular weight of 446.22 g/mol. Its IUPAC name is 6-(2,4-dichloroanilino)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-4-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(2,4-dichloroanilino)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-4-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID10072230
Molecular FormulaC17H12Cl2F3N5O2
Molecular Weight446.22 g/mol
Exact Mass445.03
IUPAC Name6-(2,4-dichloroanilino)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-4-(trifluoromethyl)pyridine-3-carboxamide
SMILESCc1nnc(CNC(=O)c2cnc(Nc3ccc(Cl)cc3Cl)cc2C(F)(F)F)o1
InChIInChI=1S/C17H12Cl2F3N5O2/c1-8-26-27-15(29-8)7-24-16(28)10-6-23-14(5-11(10)17(20,21)22)25-13-3-2-9(18)4-12(13)19/h2-6H,7H2,1H3,(H,23,25)(H,24,28)
InChIKeyXUNFJZZWUWASMZ-UHFFFAOYSA-N
XLogP4.77
TPSA92.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.22
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(2,4-dichloroanilino)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-4-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of 6-(2,4-dichloroanilino)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-4-(trifluoromethyl)pyridine-3-carboxamide (CID 10072230) is 6-(2,4-dichloroanilino)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-4-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-(2,4-dichloroanilino)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-4-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for 6-(2,4-dichloroanilino)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-4-(trifluoromethyl)pyridine-3-carboxamide is Cc1nnc(CNC(=O)c2cnc(Nc3ccc(Cl)cc3Cl)cc2C(F)(F)F)o1.
What is the InChIKey of 6-(2,4-dichloroanilino)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-4-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is XUNFJZZWUWASMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Cl2F3N5O2/c1-8-26-27-15(29-8)7-24-16(28)10-6-23-14(5-11(10)17(20,21)22)25-13-3-2-9(18)4-12(13)19/h2-6H,7H2,1H3,(H,23,25)(H,24,28).
What are the key properties of 6-(2,4-dichloroanilino)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-4-(trifluoromethyl)pyridine-3-carboxamide?
6-(2,4-dichloroanilino)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-4-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 446.22 g/mol, XLogP of 4.77, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,4-dichloroanilino)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-4-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 10072230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).