N-[(1-pyridin-4-yltriazol-4-yl)methyl]-2-[3-(trifluoromethyl)phenoxy]acetamide

C17H14F3N5O2 — CID 117074401

IUPACN-[(1-pyridin-4-yltriazol-4-yl)methyl]-2-[3-(trifluoromethyl)phenoxy]acetamide
SMILESO=C(COc1cccc(C(F)(F)F)c1)NCc1cn(-c2ccncc2)nn1
InChIInChI=1S/C17H14F3N5O2/c18-17(19,20)12-2-1-3-15(8-12)27-11-16(26)22-9-13-10-25(24-23-13)14-4-6-21-7-5-14/h1-8,10H,9,11H2,(H,22,26)
InChIKeyZJZYJKYIWXPXAS-UHFFFAOYSA-N
MW377.33 g/mol
LogP2.38
Rot. Bonds6

About N-[(1-pyridin-4-yltriazol-4-yl)methyl]-2-[3-(trifluoromethyl)phenoxy]acetamide

N-[(1-pyridin-4-yltriazol-4-yl)methyl]-2-[3-(trifluoromethyl)phenoxy]acetamide (PubChem CID 117074401) has the molecular formula C17H14F3N5O2 and a molecular weight of 377.33 g/mol. Its IUPAC name is N-[(1-pyridin-4-yltriazol-4-yl)methyl]-2-[3-(trifluoromethyl)phenoxy]acetamide.

Molecular Properties

Compound NameN-[(1-pyridin-4-yltriazol-4-yl)methyl]-2-[3-(trifluoromethyl)phenoxy]acetamide
PubChem CID117074401
Molecular FormulaC17H14F3N5O2
Molecular Weight377.33 g/mol
Exact Mass377.11
IUPAC NameN-[(1-pyridin-4-yltriazol-4-yl)methyl]-2-[3-(trifluoromethyl)phenoxy]acetamide
SMILESO=C(COc1cccc(C(F)(F)F)c1)NCc1cn(-c2ccncc2)nn1
InChIInChI=1S/C17H14F3N5O2/c18-17(19,20)12-2-1-3-15(8-12)27-11-16(26)22-9-13-10-25(24-23-13)14-4-6-21-7-5-14/h1-8,10H,9,11H2,(H,22,26)
InChIKeyZJZYJKYIWXPXAS-UHFFFAOYSA-N
XLogP2.38
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.33
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1-pyridin-4-yltriazol-4-yl)methyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 121195973
N-[(1-pyridin-4-yltriazol-4-yl)methyl]-3,5-bis(trifluoromethyl)benzamide
CID 121196018
1-[(1-pyridin-4-yltriazol-4-yl)methyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 119105072
N-[(4-piperidin-1-ylphenyl)methyl]-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 100757909
2-naphthalen-2-yloxy-N-[(1-thiophen-3-yltriazol-4-yl)methyl]acetamide
CID 122275772
N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 55659774
N-[(1-pyridin-3-yltriazol-4-yl)methyl]-3,5-bis(trifluoromethyl)benzamide
CID 121198065
N-(2-amino-2-ethylbutyl)-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 119640750
4-tert-butyl-N-[(1-pyridin-4-yltriazol-4-yl)methyl]benzamide
CID 121195951
N-[(1-pyridin-4-yltriazol-4-yl)methyl]pyrazine-2-carboxamide
CID 119105033
2-[3-(trifluoromethyl)phenoxy]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 100757803
2-phenoxy-N-[4-[3-(trifluoromethyl)phenoxy]but-2-ynyl]acetamide
CID 90575880

Frequently Asked Questions

What is the IUPAC name of N-[(1-pyridin-4-yltriazol-4-yl)methyl]-2-[3-(trifluoromethyl)phenoxy]acetamide?
The IUPAC name of N-[(1-pyridin-4-yltriazol-4-yl)methyl]-2-[3-(trifluoromethyl)phenoxy]acetamide (CID 117074401) is N-[(1-pyridin-4-yltriazol-4-yl)methyl]-2-[3-(trifluoromethyl)phenoxy]acetamide.
What is the SMILES notation for N-[(1-pyridin-4-yltriazol-4-yl)methyl]-2-[3-(trifluoromethyl)phenoxy]acetamide?
The canonical SMILES for N-[(1-pyridin-4-yltriazol-4-yl)methyl]-2-[3-(trifluoromethyl)phenoxy]acetamide is O=C(COc1cccc(C(F)(F)F)c1)NCc1cn(-c2ccncc2)nn1.
What is the InChIKey of N-[(1-pyridin-4-yltriazol-4-yl)methyl]-2-[3-(trifluoromethyl)phenoxy]acetamide?
The InChIKey is ZJZYJKYIWXPXAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N5O2/c18-17(19,20)12-2-1-3-15(8-12)27-11-16(26)22-9-13-10-25(24-23-13)14-4-6-21-7-5-14/h1-8,10H,9,11H2,(H,22,26).
What are the key properties of N-[(1-pyridin-4-yltriazol-4-yl)methyl]-2-[3-(trifluoromethyl)phenoxy]acetamide?
N-[(1-pyridin-4-yltriazol-4-yl)methyl]-2-[3-(trifluoromethyl)phenoxy]acetamide has a molecular weight of 377.33 g/mol, XLogP of 2.38, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-pyridin-4-yltriazol-4-yl)methyl]-2-[3-(trifluoromethyl)phenoxy]acetamide is sourced from PubChem (CID 117074401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).