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

C19H21N5O — CID 121195951

IUPAC4-tert-butyl-N-[(1-pyridin-4-yltriazol-4-yl)methyl]benzamide
SMILESCC(C)(C)c1ccc(C(=O)NCc2cn(-c3ccncc3)nn2)cc1
InChIInChI=1S/C19H21N5O/c1-19(2,3)15-6-4-14(5-7-15)18(25)21-12-16-13-24(23-22-16)17-8-10-20-11-9-17/h4-11,13H,12H2,1-3H3,(H,21,25)
InChIKeyWKHJIDJHAXVNAM-UHFFFAOYSA-N
MW335.41 g/mol
LogP2.89
Rot. Bonds4

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

4-tert-butyl-N-[(1-pyridin-4-yltriazol-4-yl)methyl]benzamide (PubChem CID 121195951) has the molecular formula C19H21N5O and a molecular weight of 335.41 g/mol. Its IUPAC name is 4-tert-butyl-N-[(1-pyridin-4-yltriazol-4-yl)methyl]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[(1-pyridin-4-yltriazol-4-yl)methyl]benzamide
PubChem CID121195951
Molecular FormulaC19H21N5O
Molecular Weight335.41 g/mol
Exact Mass335.17
IUPAC Name4-tert-butyl-N-[(1-pyridin-4-yltriazol-4-yl)methyl]benzamide
SMILESCC(C)(C)c1ccc(C(=O)NCc2cn(-c3ccncc3)nn2)cc1
InChIInChI=1S/C19H21N5O/c1-19(2,3)15-6-4-14(5-7-15)18(25)21-12-16-13-24(23-22-16)17-8-10-20-11-9-17/h4-11,13H,12H2,1-3H3,(H,21,25)
InChIKeyWKHJIDJHAXVNAM-UHFFFAOYSA-N
XLogP2.89
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(dimethylamino)-N-[(1-pyridin-4-yltriazol-4-yl)methyl]benzamide
CID 121195791
N-[(1-pyridin-4-yltriazol-4-yl)methyl]-3,5-bis(trifluoromethyl)benzamide
CID 121196018
3-fluoro-4-methyl-N-[(1-pyridin-4-yltriazol-4-yl)methyl]benzamide
CID 121195968
N-[(1-pyridin-4-yltriazol-4-yl)methyl]-4-thiophen-3-ylbenzamide
CID 121195848
N-[(1-pyridin-4-yltriazol-4-yl)methyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 121195973
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-propyl-N-[(1-pyridin-4-yltriazol-4-yl)methyl]thiadiazole-5-carboxamide
CID 121022269
4-methyl-N-[(1-pyridin-4-yltriazol-4-yl)methyl]-1,3-thiazole-5-carboxamide
CID 121196000
3-pyrazol-1-yl-N-[(1-pyridin-4-yltriazol-4-yl)methyl]benzamide
CID 121195995
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-tert-butyl-N-[(1-pyridin-4-yltriazol-4-yl)methyl]benzamide?
The IUPAC name of 4-tert-butyl-N-[(1-pyridin-4-yltriazol-4-yl)methyl]benzamide (CID 121195951) is 4-tert-butyl-N-[(1-pyridin-4-yltriazol-4-yl)methyl]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[(1-pyridin-4-yltriazol-4-yl)methyl]benzamide?
The canonical SMILES for 4-tert-butyl-N-[(1-pyridin-4-yltriazol-4-yl)methyl]benzamide is CC(C)(C)c1ccc(C(=O)NCc2cn(-c3ccncc3)nn2)cc1.
What is the InChIKey of 4-tert-butyl-N-[(1-pyridin-4-yltriazol-4-yl)methyl]benzamide?
The InChIKey is WKHJIDJHAXVNAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O/c1-19(2,3)15-6-4-14(5-7-15)18(25)21-12-16-13-24(23-22-16)17-8-10-20-11-9-17/h4-11,13H,12H2,1-3H3,(H,21,25).
What are the key properties of 4-tert-butyl-N-[(1-pyridin-4-yltriazol-4-yl)methyl]benzamide?
4-tert-butyl-N-[(1-pyridin-4-yltriazol-4-yl)methyl]benzamide has a molecular weight of 335.41 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[(1-pyridin-4-yltriazol-4-yl)methyl]benzamide is sourced from PubChem (CID 121195951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).