2,4-dimethyl-N-[(1-pyridin-3-yltriazol-4-yl)methyl]benzamide

C17H17N5O — CID 121197982

IUPAC2,4-dimethyl-N-[(1-pyridin-3-yltriazol-4-yl)methyl]benzamide
SMILESCc1ccc(C(=O)NCc2cn(-c3cccnc3)nn2)c(C)c1
InChIInChI=1S/C17H17N5O/c1-12-5-6-16(13(2)8-12)17(23)19-9-14-11-22(21-20-14)15-4-3-7-18-10-15/h3-8,10-11H,9H2,1-2H3,(H,19,23)
InChIKeyTYWOCSVWJTVVLW-UHFFFAOYSA-N
MW307.36 g/mol
LogP2.21
Rot. Bonds4

About 2,4-dimethyl-N-[(1-pyridin-3-yltriazol-4-yl)methyl]benzamide

2,4-dimethyl-N-[(1-pyridin-3-yltriazol-4-yl)methyl]benzamide (PubChem CID 121197982) has the molecular formula C17H17N5O and a molecular weight of 307.36 g/mol. Its IUPAC name is 2,4-dimethyl-N-[(1-pyridin-3-yltriazol-4-yl)methyl]benzamide.

Molecular Properties

Compound Name2,4-dimethyl-N-[(1-pyridin-3-yltriazol-4-yl)methyl]benzamide
PubChem CID121197982
Molecular FormulaC17H17N5O
Molecular Weight307.36 g/mol
Exact Mass307.14
IUPAC Name2,4-dimethyl-N-[(1-pyridin-3-yltriazol-4-yl)methyl]benzamide
SMILESCc1ccc(C(=O)NCc2cn(-c3cccnc3)nn2)c(C)c1
InChIInChI=1S/C17H17N5O/c1-12-5-6-16(13(2)8-12)17(23)19-9-14-11-22(21-20-14)15-4-3-7-18-10-15/h3-8,10-11H,9H2,1-2H3,(H,19,23)
InChIKeyTYWOCSVWJTVVLW-UHFFFAOYSA-N
XLogP2.21
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.36
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2,4-dimethyl-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

1-(4-methylphenyl)-3-[(1-pyridin-3-yltriazol-4-yl)methyl]urea
CID 121198151
4-methoxy-N-[(1-pyridin-3-yltriazol-4-yl)methyl]benzamide
CID 121197820
1-ethyl-3-[(1-pyridin-3-yltriazol-4-yl)methyl]urea
CID 121198126
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
1-pyridin-3-yl-3-[(1-pyridin-3-yltriazol-4-yl)methyl]urea
CID 121198111
5-cyclopropyl-N-[(1-pyridin-3-yltriazol-4-yl)methyl]-1,2-oxazole-3-carboxamide
CID 121197885
N-[(1-pyridin-3-yltriazol-4-yl)methyl]cyclohexanecarboxamide
CID 121198002
2-pyrazol-1-yl-N-[(1-pyridin-3-yltriazol-4-yl)methyl]propanamide
CID 121198041
5-(furan-2-yl)-N-[(1-pyridin-3-yltriazol-4-yl)methyl]-1H-pyrazole-3-carboxamide
CID 121198009
1-(1-adamantyl)-3-[(1-pyridin-3-yltriazol-4-yl)methyl]urea
CID 121198143
methyl 2-(1-pyridin-3-yltriazol-4-yl)acetate
CID 166390284

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-[(1-pyridin-3-yltriazol-4-yl)methyl]benzamide?
The IUPAC name of 2,4-dimethyl-N-[(1-pyridin-3-yltriazol-4-yl)methyl]benzamide (CID 121197982) is 2,4-dimethyl-N-[(1-pyridin-3-yltriazol-4-yl)methyl]benzamide.
What is the SMILES notation for 2,4-dimethyl-N-[(1-pyridin-3-yltriazol-4-yl)methyl]benzamide?
The canonical SMILES for 2,4-dimethyl-N-[(1-pyridin-3-yltriazol-4-yl)methyl]benzamide is Cc1ccc(C(=O)NCc2cn(-c3cccnc3)nn2)c(C)c1.
What is the InChIKey of 2,4-dimethyl-N-[(1-pyridin-3-yltriazol-4-yl)methyl]benzamide?
The InChIKey is TYWOCSVWJTVVLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O/c1-12-5-6-16(13(2)8-12)17(23)19-9-14-11-22(21-20-14)15-4-3-7-18-10-15/h3-8,10-11H,9H2,1-2H3,(H,19,23).
What are the key properties of 2,4-dimethyl-N-[(1-pyridin-3-yltriazol-4-yl)methyl]benzamide?
2,4-dimethyl-N-[(1-pyridin-3-yltriazol-4-yl)methyl]benzamide has a molecular weight of 307.36 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-[(1-pyridin-3-yltriazol-4-yl)methyl]benzamide is sourced from PubChem (CID 121197982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).