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

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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).