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

C18H19N5O2 — CID 164612481

IUPACN-ethyl-3-(1-methyltriazol-4-yl)-4-(pyridin-3-ylmethoxy)benzamide
SMILESCCNC(=O)c1ccc(OCc2cccnc2)c(-c2cn(C)nn2)c1
InChIInChI=1S/C18H19N5O2/c1-3-20-18(24)14-6-7-17(25-12-13-5-4-8-19-10-13)15(9-14)16-11-23(2)22-21-16/h4-11H,3,12H2,1-2H3,(H,20,24)
InChIKeyLYFPCUDOWNNWNO-UHFFFAOYSA-N
MW337.38 g/mol
LogP2.21
Rot. Bonds6

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

N-ethyl-3-(1-methyltriazol-4-yl)-4-(pyridin-3-ylmethoxy)benzamide (PubChem CID 164612481) has the molecular formula C18H19N5O2 and a molecular weight of 337.38 g/mol. Its IUPAC name is N-ethyl-3-(1-methyltriazol-4-yl)-4-(pyridin-3-ylmethoxy)benzamide.

Molecular Properties

Compound NameN-ethyl-3-(1-methyltriazol-4-yl)-4-(pyridin-3-ylmethoxy)benzamide
PubChem CID164612481
Molecular FormulaC18H19N5O2
Molecular Weight337.38 g/mol
Exact Mass337.15
IUPAC NameN-ethyl-3-(1-methyltriazol-4-yl)-4-(pyridin-3-ylmethoxy)benzamide
SMILESCCNC(=O)c1ccc(OCc2cccnc2)c(-c2cn(C)nn2)c1
InChIInChI=1S/C18H19N5O2/c1-3-20-18(24)14-6-7-17(25-12-13-5-4-8-19-10-13)15(9-14)16-11-23(2)22-21-16/h4-11H,3,12H2,1-2H3,(H,20,24)
InChIKeyLYFPCUDOWNNWNO-UHFFFAOYSA-N
XLogP2.21
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-ethyl-3-(1-methyltriazol-4-yl)-4-(pyridin-3-ylmethoxy)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(1-methyltriazol-4-yl)-4-(pyridin-3-ylmethoxy)benzamide?
The IUPAC name of N-ethyl-3-(1-methyltriazol-4-yl)-4-(pyridin-3-ylmethoxy)benzamide (CID 164612481) is N-ethyl-3-(1-methyltriazol-4-yl)-4-(pyridin-3-ylmethoxy)benzamide.
What is the SMILES notation for N-ethyl-3-(1-methyltriazol-4-yl)-4-(pyridin-3-ylmethoxy)benzamide?
The canonical SMILES for N-ethyl-3-(1-methyltriazol-4-yl)-4-(pyridin-3-ylmethoxy)benzamide is CCNC(=O)c1ccc(OCc2cccnc2)c(-c2cn(C)nn2)c1.
What is the InChIKey of N-ethyl-3-(1-methyltriazol-4-yl)-4-(pyridin-3-ylmethoxy)benzamide?
The InChIKey is LYFPCUDOWNNWNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2/c1-3-20-18(24)14-6-7-17(25-12-13-5-4-8-19-10-13)15(9-14)16-11-23(2)22-21-16/h4-11H,3,12H2,1-2H3,(H,20,24).
What are the key properties of N-ethyl-3-(1-methyltriazol-4-yl)-4-(pyridin-3-ylmethoxy)benzamide?
N-ethyl-3-(1-methyltriazol-4-yl)-4-(pyridin-3-ylmethoxy)benzamide has a molecular weight of 337.38 g/mol, XLogP of 2.21, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(1-methyltriazol-4-yl)-4-(pyridin-3-ylmethoxy)benzamide is sourced from PubChem (CID 164612481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).