N-[1-[4-(difluoromethoxy)phenyl]ethyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide

C17H15F2N5O2 — CID 60525778

IUPACN-[1-[4-(difluoromethoxy)phenyl]ethyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
SMILESCC(C1=CC=C(C=C1)OC(F)F)NC(=O)C2=CC(=NC=C2)N3C=NC=N3
InChIInChI=1S/C17H15F2N5O2/c1-11(12-2-4-14(5-3-12)26-17(18)19)23-16(25)13-6-7-21-15(8-13)24-10-20-9-22-24/h2-11,17H,1H3,(H,23,25)
InChIKeyUFQAGGDQJFHMAQ-UHFFFAOYSA-N
MW359.33 g/mol
LogP3.00
Rot. Bonds6

About N-[1-[4-(difluoromethoxy)phenyl]ethyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide

N-[1-[4-(difluoromethoxy)phenyl]ethyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide (PubChem CID 60525778) has the molecular formula C17H15F2N5O2 and a molecular weight of 359.33 g/mol. Its IUPAC name is N-[1-[4-(difluoromethoxy)phenyl]ethyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[1-[4-(difluoromethoxy)phenyl]ethyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
PubChem CID60525778
Molecular FormulaC17H15F2N5O2
Molecular Weight359.33 g/mol
Exact Mass359.12
IUPAC NameN-[1-[4-(difluoromethoxy)phenyl]ethyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
SMILESCC(C1=CC=C(C=C1)OC(F)F)NC(=O)C2=CC(=NC=C2)N3C=NC=N3
InChIInChI=1S/C17H15F2N5O2/c1-11(12-2-4-14(5-3-12)26-17(18)19)23-16(25)13-6-7-21-15(8-13)24-10-20-9-22-24/h2-11,17H,1H3,(H,23,25)
InChIKeyUFQAGGDQJFHMAQ-UHFFFAOYSA-N
XLogP3.00
TPSA81.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity462

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.33
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(difluoromethoxy)phenyl]ethyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide?
The IUPAC name of N-[1-[4-(difluoromethoxy)phenyl]ethyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide (CID 60525778) is N-[1-[4-(difluoromethoxy)phenyl]ethyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide.
What is the SMILES notation for N-[1-[4-(difluoromethoxy)phenyl]ethyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide?
The canonical SMILES for N-[1-[4-(difluoromethoxy)phenyl]ethyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide is CC(C1=CC=C(C=C1)OC(F)F)NC(=O)C2=CC(=NC=C2)N3C=NC=N3.
What is the InChIKey of N-[1-[4-(difluoromethoxy)phenyl]ethyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide?
The InChIKey is UFQAGGDQJFHMAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2N5O2/c1-11(12-2-4-14(5-3-12)26-17(18)19)23-16(25)13-6-7-21-15(8-13)24-10-20-9-22-24/h2-11,17H,1H3,(H,23,25).
What are the key properties of N-[1-[4-(difluoromethoxy)phenyl]ethyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide?
N-[1-[4-(difluoromethoxy)phenyl]ethyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide has a molecular weight of 359.33 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(difluoromethoxy)phenyl]ethyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide is sourced from PubChem (CID 60525778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).