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

C17H18N6O — CID 121195791

IUPAC4-(dimethylamino)-N-[(1-pyridin-4-yltriazol-4-yl)methyl]benzamide
SMILESCN(C)c1ccc(C(=O)NCc2cn(-c3ccncc3)nn2)cc1
InChIInChI=1S/C17H18N6O/c1-22(2)15-5-3-13(4-6-15)17(24)19-11-14-12-23(21-20-14)16-7-9-18-10-8-16/h3-10,12H,11H2,1-2H3,(H,19,24)
InChIKeyZDGLDVRRUOVBCJ-UHFFFAOYSA-N
MW322.37 g/mol
LogP1.66
Rot. Bonds5

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

4-(dimethylamino)-N-[(1-pyridin-4-yltriazol-4-yl)methyl]benzamide (PubChem CID 121195791) has the molecular formula C17H18N6O and a molecular weight of 322.37 g/mol. Its IUPAC name is 4-(dimethylamino)-N-[(1-pyridin-4-yltriazol-4-yl)methyl]benzamide.

Molecular Properties

Compound Name4-(dimethylamino)-N-[(1-pyridin-4-yltriazol-4-yl)methyl]benzamide
PubChem CID121195791
Molecular FormulaC17H18N6O
Molecular Weight322.37 g/mol
Exact Mass322.15
IUPAC Name4-(dimethylamino)-N-[(1-pyridin-4-yltriazol-4-yl)methyl]benzamide
SMILESCN(C)c1ccc(C(=O)NCc2cn(-c3ccncc3)nn2)cc1
InChIInChI=1S/C17H18N6O/c1-22(2)15-5-3-13(4-6-15)17(24)19-11-14-12-23(21-20-14)16-7-9-18-10-8-16/h3-10,12H,11H2,1-2H3,(H,19,24)
InChIKeyZDGLDVRRUOVBCJ-UHFFFAOYSA-N
XLogP1.66
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-(dimethylamino)-N-[(1-pyridin-4-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-tert-butyl-N-[(1-pyridin-4-yltriazol-4-yl)methyl]benzamide
CID 121195951
N-[(1-pyridin-4-yltriazol-4-yl)methyl]-4-thiophen-3-ylbenzamide
CID 121195848
3-fluoro-4-methyl-N-[(1-pyridin-4-yltriazol-4-yl)methyl]benzamide
CID 121195968
N-[(1-pyridin-4-yltriazol-4-yl)methyl]-3,5-bis(trifluoromethyl)benzamide
CID 121196018
2,5-dimethyl-N-[(1-pyridin-4-yltriazol-4-yl)methyl]pyrazole-3-carboxamide
CID 121195982
N-[(1-pyridin-4-yltriazol-4-yl)methyl]pyrazine-2-carboxamide
CID 119105033
4-methyl-N-[(1-pyridin-4-yltriazol-4-yl)methyl]-1,3-thiazole-5-carboxamide
CID 121196000
4-propyl-N-[(1-pyridin-4-yltriazol-4-yl)methyl]thiadiazole-5-carboxamide
CID 121022269
3-pyrazol-1-yl-N-[(1-pyridin-4-yltriazol-4-yl)methyl]benzamide
CID 121195995
N-[(1-pyridin-4-yltriazol-4-yl)methyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 121195973
N-[(1-pyridin-4-yltriazol-4-yl)methyl]quinoxaline-2-carboxamide
CID 121195802
1-acetyl-N-[(1-pyridin-4-yltriazol-4-yl)methyl]piperidine-4-carboxamide
CID 121195903

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-N-[(1-pyridin-4-yltriazol-4-yl)methyl]benzamide?
The IUPAC name of 4-(dimethylamino)-N-[(1-pyridin-4-yltriazol-4-yl)methyl]benzamide (CID 121195791) is 4-(dimethylamino)-N-[(1-pyridin-4-yltriazol-4-yl)methyl]benzamide.
What is the SMILES notation for 4-(dimethylamino)-N-[(1-pyridin-4-yltriazol-4-yl)methyl]benzamide?
The canonical SMILES for 4-(dimethylamino)-N-[(1-pyridin-4-yltriazol-4-yl)methyl]benzamide is CN(C)c1ccc(C(=O)NCc2cn(-c3ccncc3)nn2)cc1.
What is the InChIKey of 4-(dimethylamino)-N-[(1-pyridin-4-yltriazol-4-yl)methyl]benzamide?
The InChIKey is ZDGLDVRRUOVBCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O/c1-22(2)15-5-3-13(4-6-15)17(24)19-11-14-12-23(21-20-14)16-7-9-18-10-8-16/h3-10,12H,11H2,1-2H3,(H,19,24).
What are the key properties of 4-(dimethylamino)-N-[(1-pyridin-4-yltriazol-4-yl)methyl]benzamide?
4-(dimethylamino)-N-[(1-pyridin-4-yltriazol-4-yl)methyl]benzamide has a molecular weight of 322.37 g/mol, XLogP of 1.66, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-N-[(1-pyridin-4-yltriazol-4-yl)methyl]benzamide is sourced from PubChem (CID 121195791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).