4-methoxy-N-[(1-pyridin-3-yltriazol-4-yl)methyl]benzamide

C16H15N5O2 — CID 121197820

IUPAC4-methoxy-N-[(1-pyridin-3-yltriazol-4-yl)methyl]benzamide
SMILESCOc1ccc(C(=O)NCc2cn(-c3cccnc3)nn2)cc1
InChIInChI=1S/C16H15N5O2/c1-23-15-6-4-12(5-7-15)16(22)18-9-13-11-21(20-19-13)14-3-2-8-17-10-14/h2-8,10-11H,9H2,1H3,(H,18,22)
InChIKeyZEXFIBGPFZOSJD-UHFFFAOYSA-N
MW309.33 g/mol
LogP1.60
Rot. Bonds5

About 4-methoxy-N-[(1-pyridin-3-yltriazol-4-yl)methyl]benzamide

4-methoxy-N-[(1-pyridin-3-yltriazol-4-yl)methyl]benzamide (PubChem CID 121197820) has the molecular formula C16H15N5O2 and a molecular weight of 309.33 g/mol. Its IUPAC name is 4-methoxy-N-[(1-pyridin-3-yltriazol-4-yl)methyl]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[(1-pyridin-3-yltriazol-4-yl)methyl]benzamide
PubChem CID121197820
Molecular FormulaC16H15N5O2
Molecular Weight309.33 g/mol
Exact Mass309.12
IUPAC Name4-methoxy-N-[(1-pyridin-3-yltriazol-4-yl)methyl]benzamide
SMILESCOc1ccc(C(=O)NCc2cn(-c3cccnc3)nn2)cc1
InChIInChI=1S/C16H15N5O2/c1-23-15-6-4-12(5-7-15)16(22)18-9-13-11-21(20-19-13)14-3-2-8-17-10-14/h2-8,10-11H,9H2,1H3,(H,18,22)
InChIKeyZEXFIBGPFZOSJD-UHFFFAOYSA-N
XLogP1.60
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-methoxy-N-[(1-pyridin-3-yltriazol-4-yl)methyl]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

4-(diethylsulfamoyl)-N-[(1-pyridin-3-yltriazol-4-yl)methyl]benzamide
CID 121198005
N-[(1-pyridin-3-yltriazol-4-yl)methyl]-3,5-bis(trifluoromethyl)benzamide
CID 121198065
2,4-dimethyl-N-[(1-pyridin-3-yltriazol-4-yl)methyl]benzamide
CID 121197982
1-ethyl-3-[(1-pyridin-3-yltriazol-4-yl)methyl]urea
CID 121198126
methyl 2-(1-pyridin-3-yltriazol-4-yl)acetate
CID 166390284
1-pyridin-3-yl-3-[(1-pyridin-3-yltriazol-4-yl)methyl]urea
CID 121198111
N-[[1-(3-methoxyphenyl)triazol-4-yl]methyl]acetamide
CID 155944475
2-methoxy-N-[(1-pyridin-3-yltriazol-4-yl)methyl]ethanamine
CID 107587095
1-(4-methylphenyl)-3-[(1-pyridin-3-yltriazol-4-yl)methyl]urea
CID 121198151
4-tert-butyl-N-[(1-pyridin-4-yltriazol-4-yl)methyl]benzamide
CID 121195951
2-indol-1-yl-N-[(1-pyridin-3-yltriazol-4-yl)methyl]acetamide
CID 121197954
N-[(1-pyridin-3-yltriazol-4-yl)methyl]cyclohexanecarboxamide
CID 121198002

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[(1-pyridin-3-yltriazol-4-yl)methyl]benzamide?
The IUPAC name of 4-methoxy-N-[(1-pyridin-3-yltriazol-4-yl)methyl]benzamide (CID 121197820) is 4-methoxy-N-[(1-pyridin-3-yltriazol-4-yl)methyl]benzamide.
What is the SMILES notation for 4-methoxy-N-[(1-pyridin-3-yltriazol-4-yl)methyl]benzamide?
The canonical SMILES for 4-methoxy-N-[(1-pyridin-3-yltriazol-4-yl)methyl]benzamide is COc1ccc(C(=O)NCc2cn(-c3cccnc3)nn2)cc1.
What is the InChIKey of 4-methoxy-N-[(1-pyridin-3-yltriazol-4-yl)methyl]benzamide?
The InChIKey is ZEXFIBGPFZOSJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O2/c1-23-15-6-4-12(5-7-15)16(22)18-9-13-11-21(20-19-13)14-3-2-8-17-10-14/h2-8,10-11H,9H2,1H3,(H,18,22).
What are the key properties of 4-methoxy-N-[(1-pyridin-3-yltriazol-4-yl)methyl]benzamide?
4-methoxy-N-[(1-pyridin-3-yltriazol-4-yl)methyl]benzamide has a molecular weight of 309.33 g/mol, XLogP of 1.60, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[(1-pyridin-3-yltriazol-4-yl)methyl]benzamide is sourced from PubChem (CID 121197820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).