N-[(E)-[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methylideneamino]-N-methyl-3-(trifluoromethyl)pyridine-2-carboxamide

C18H11F6N5O2 — CID 178112417

IUPACN-[(E)-[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methylideneamino]-N-methyl-3-(trifluoromethyl)pyridine-2-carboxamide
SMILESCN(/N=C/c1ccc(-c2nnc(C(F)F)o2)cc1F)C(=O)c1ncccc1C(F)(F)F
InChIInChI=1S/C18H11F6N5O2/c1-29(17(30)13-11(18(22,23)24)3-2-6-25-13)26-8-10-5-4-9(7-12(10)19)15-27-28-16(31-15)14(20)21/h2-8,14H,1H3/b26-8+
InChIKeyRVRNHMYLJHLGAI-MWRNPHMMSA-N
MW443.31 g/mol
LogP4.33
Rot. Bonds5

About N-[(E)-[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methylideneamino]-N-methyl-3-(trifluoromethyl)pyridine-2-carboxamide

N-[(E)-[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methylideneamino]-N-methyl-3-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 178112417) has the molecular formula C18H11F6N5O2 and a molecular weight of 443.31 g/mol. Its IUPAC name is N-[(E)-[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methylideneamino]-N-methyl-3-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(E)-[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methylideneamino]-N-methyl-3-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID178112417
Molecular FormulaC18H11F6N5O2
Molecular Weight443.31 g/mol
Exact Mass443.08
IUPAC NameN-[(E)-[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methylideneamino]-N-methyl-3-(trifluoromethyl)pyridine-2-carboxamide
SMILESCN(/N=C/c1ccc(-c2nnc(C(F)F)o2)cc1F)C(=O)c1ncccc1C(F)(F)F
InChIInChI=1S/C18H11F6N5O2/c1-29(17(30)13-11(18(22,23)24)3-2-6-25-13)26-8-10-5-4-9(7-12(10)19)15-27-28-16(31-15)14(20)21/h2-8,14H,1H3/b26-8+
InChIKeyRVRNHMYLJHLGAI-MWRNPHMMSA-N
XLogP4.33
TPSA84.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.31
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methylideneamino]-N-methyl-3-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of N-[(E)-[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methylideneamino]-N-methyl-3-(trifluoromethyl)pyridine-2-carboxamide (CID 178112417) is N-[(E)-[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methylideneamino]-N-methyl-3-(trifluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-[(E)-[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methylideneamino]-N-methyl-3-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for N-[(E)-[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methylideneamino]-N-methyl-3-(trifluoromethyl)pyridine-2-carboxamide is CN(/N=C/c1ccc(-c2nnc(C(F)F)o2)cc1F)C(=O)c1ncccc1C(F)(F)F.
What is the InChIKey of N-[(E)-[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methylideneamino]-N-methyl-3-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is RVRNHMYLJHLGAI-MWRNPHMMSA-N. The full InChI is InChI=1S/C18H11F6N5O2/c1-29(17(30)13-11(18(22,23)24)3-2-6-25-13)26-8-10-5-4-9(7-12(10)19)15-27-28-16(31-15)14(20)21/h2-8,14H,1H3/b26-8+.
What are the key properties of N-[(E)-[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methylideneamino]-N-methyl-3-(trifluoromethyl)pyridine-2-carboxamide?
N-[(E)-[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methylideneamino]-N-methyl-3-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 443.31 g/mol, XLogP of 4.33, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methylideneamino]-N-methyl-3-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 178112417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).