4-ethoxy-3-methoxy-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide

C17H17N5O3 — CID 86992058

IUPAC4-ethoxy-3-methoxy-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide
SMILESCCOc1ccc(C(=O)Nc2n[nH]c(-c3ccccn3)n2)cc1OC
InChIInChI=1S/C17H17N5O3/c1-3-25-13-8-7-11(10-14(13)24-2)16(23)20-17-19-15(21-22-17)12-6-4-5-9-18-12/h4-10H,3H2,1-2H3,(H2,19,20,21,22,23)
InChIKeyVODDPGVAOFZYKJ-UHFFFAOYSA-N
MW339.36 g/mol
LogP2.53
Rot. Bonds6

About 4-ethoxy-3-methoxy-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide

4-ethoxy-3-methoxy-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide (PubChem CID 86992058) has the molecular formula C17H17N5O3 and a molecular weight of 339.36 g/mol. Its IUPAC name is 4-ethoxy-3-methoxy-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide.

Molecular Properties

Compound Name4-ethoxy-3-methoxy-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide
PubChem CID86992058
Molecular FormulaC17H17N5O3
Molecular Weight339.36 g/mol
Exact Mass339.13
IUPAC Name4-ethoxy-3-methoxy-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide
SMILESCCOc1ccc(C(=O)Nc2n[nH]c(-c3ccccn3)n2)cc1OC
InChIInChI=1S/C17H17N5O3/c1-3-25-13-8-7-11(10-14(13)24-2)16(23)20-17-19-15(21-22-17)12-6-4-5-9-18-12/h4-10H,3H2,1-2H3,(H2,19,20,21,22,23)
InChIKeyVODDPGVAOFZYKJ-UHFFFAOYSA-N
XLogP2.53
TPSA102.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.36
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-ethoxy-3-methoxy-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide with MolForge

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

Launch Full Analysis

Related Compounds

3-bromo-5-methoxy-4-propoxy-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide
CID 55729923
4-methyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide
CID 86992065
3,4-diethoxy-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide
CID 78928120
4-(difluoromethoxy)-3-methoxy-N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]benzamide
CID 55646276
3,4-diethoxy-N-pyridin-2-ylbenzamide
CID 4520194
4-ethoxy-3-methoxy-N-(3-methyl-2-pyridinyl)benzamide
CID 25344175
N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-3-(1,3-thiazol-4-ylmethoxy)benzamide
CID 87018846
2-methyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pentanamide
CID 154748583
3,4-diethoxy-N-(2-methoxyphenyl)benzamide
CID 669527
4-ethoxy-3-methoxy-N-(4-phenylphenyl)benzamide
CID 8880847
N-[3-[(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)carbamoyl]phenyl]furan-2-carboxamide
CID 47057844
N-[5-(3,4-dimethoxyphenyl)-1H-1,2,4-triazol-3-yl]-3-(trifluoromethyl)benzamide
CID 7614437

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-3-methoxy-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide?
The IUPAC name of 4-ethoxy-3-methoxy-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide (CID 86992058) is 4-ethoxy-3-methoxy-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide.
What is the SMILES notation for 4-ethoxy-3-methoxy-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide?
The canonical SMILES for 4-ethoxy-3-methoxy-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide is CCOc1ccc(C(=O)Nc2n[nH]c(-c3ccccn3)n2)cc1OC.
What is the InChIKey of 4-ethoxy-3-methoxy-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide?
The InChIKey is VODDPGVAOFZYKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O3/c1-3-25-13-8-7-11(10-14(13)24-2)16(23)20-17-19-15(21-22-17)12-6-4-5-9-18-12/h4-10H,3H2,1-2H3,(H2,19,20,21,22,23).
What are the key properties of 4-ethoxy-3-methoxy-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide?
4-ethoxy-3-methoxy-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide has a molecular weight of 339.36 g/mol, XLogP of 2.53, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-3-methoxy-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide is sourced from PubChem (CID 86992058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).