N-ethyl-3-(1-methyltriazol-4-yl)-4-(pyrimidin-2-ylmethoxy)benzamide

C17H18N6O2 — CID 164619148

IUPACN-ethyl-3-(1-methyltriazol-4-yl)-4-(pyrimidin-2-ylmethoxy)benzamide
SMILESCCNC(=O)c1ccc(OCc2ncccn2)c(-c2cn(C)nn2)c1
InChIInChI=1S/C17H18N6O2/c1-3-18-17(24)12-5-6-15(25-11-16-19-7-4-8-20-16)13(9-12)14-10-23(2)22-21-14/h4-10H,3,11H2,1-2H3,(H,18,24)
InChIKeyYACUGZNGHPKJSX-UHFFFAOYSA-N
MW338.37 g/mol
LogP1.60
Rot. Bonds6

About N-ethyl-3-(1-methyltriazol-4-yl)-4-(pyrimidin-2-ylmethoxy)benzamide

N-ethyl-3-(1-methyltriazol-4-yl)-4-(pyrimidin-2-ylmethoxy)benzamide (PubChem CID 164619148) has the molecular formula C17H18N6O2 and a molecular weight of 338.37 g/mol. Its IUPAC name is N-ethyl-3-(1-methyltriazol-4-yl)-4-(pyrimidin-2-ylmethoxy)benzamide.

Molecular Properties

Compound NameN-ethyl-3-(1-methyltriazol-4-yl)-4-(pyrimidin-2-ylmethoxy)benzamide
PubChem CID164619148
Molecular FormulaC17H18N6O2
Molecular Weight338.37 g/mol
Exact Mass338.15
IUPAC NameN-ethyl-3-(1-methyltriazol-4-yl)-4-(pyrimidin-2-ylmethoxy)benzamide
SMILESCCNC(=O)c1ccc(OCc2ncccn2)c(-c2cn(C)nn2)c1
InChIInChI=1S/C17H18N6O2/c1-3-18-17(24)12-5-6-15(25-11-16-19-7-4-8-20-16)13(9-12)14-10-23(2)22-21-14/h4-10H,3,11H2,1-2H3,(H,18,24)
InChIKeyYACUGZNGHPKJSX-UHFFFAOYSA-N
XLogP1.60
TPSA94.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(1-methyltriazol-4-yl)-4-(pyrimidin-2-ylmethoxy)benzamide?
The IUPAC name of N-ethyl-3-(1-methyltriazol-4-yl)-4-(pyrimidin-2-ylmethoxy)benzamide (CID 164619148) is N-ethyl-3-(1-methyltriazol-4-yl)-4-(pyrimidin-2-ylmethoxy)benzamide.
What is the SMILES notation for N-ethyl-3-(1-methyltriazol-4-yl)-4-(pyrimidin-2-ylmethoxy)benzamide?
The canonical SMILES for N-ethyl-3-(1-methyltriazol-4-yl)-4-(pyrimidin-2-ylmethoxy)benzamide is CCNC(=O)c1ccc(OCc2ncccn2)c(-c2cn(C)nn2)c1.
What is the InChIKey of N-ethyl-3-(1-methyltriazol-4-yl)-4-(pyrimidin-2-ylmethoxy)benzamide?
The InChIKey is YACUGZNGHPKJSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O2/c1-3-18-17(24)12-5-6-15(25-11-16-19-7-4-8-20-16)13(9-12)14-10-23(2)22-21-14/h4-10H,3,11H2,1-2H3,(H,18,24).
What are the key properties of N-ethyl-3-(1-methyltriazol-4-yl)-4-(pyrimidin-2-ylmethoxy)benzamide?
N-ethyl-3-(1-methyltriazol-4-yl)-4-(pyrimidin-2-ylmethoxy)benzamide has a molecular weight of 338.37 g/mol, XLogP of 1.60, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(1-methyltriazol-4-yl)-4-(pyrimidin-2-ylmethoxy)benzamide is sourced from PubChem (CID 164619148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).