4-(benzotriazol-1-ylmethyl)-N-pyridin-4-ylbenzamide

C19H15N5O — CID 27700431

IUPAC4-(benzotriazol-1-ylmethyl)-N-pyridin-4-ylbenzamide
SMILESO=C(Nc1ccncc1)c1ccc(Cn2nnc3ccccc32)cc1
InChIInChI=1S/C19H15N5O/c25-19(21-16-9-11-20-12-10-16)15-7-5-14(6-8-15)13-24-18-4-2-1-3-17(18)22-23-24/h1-12H,13H2,(H,20,21,25)
InChIKeyJJMCAFHPMDMEKY-UHFFFAOYSA-N
MW329.36 g/mol
LogP3.13
Rot. Bonds4

About 4-(benzotriazol-1-ylmethyl)-N-pyridin-4-ylbenzamide

4-(benzotriazol-1-ylmethyl)-N-pyridin-4-ylbenzamide (PubChem CID 27700431) has the molecular formula C19H15N5O and a molecular weight of 329.36 g/mol. Its IUPAC name is 4-(benzotriazol-1-ylmethyl)-N-pyridin-4-ylbenzamide.

Molecular Properties

Compound Name4-(benzotriazol-1-ylmethyl)-N-pyridin-4-ylbenzamide
PubChem CID27700431
Molecular FormulaC19H15N5O
Molecular Weight329.36 g/mol
Exact Mass329.13
IUPAC Name4-(benzotriazol-1-ylmethyl)-N-pyridin-4-ylbenzamide
SMILESO=C(Nc1ccncc1)c1ccc(Cn2nnc3ccccc32)cc1
InChIInChI=1S/C19H15N5O/c25-19(21-16-9-11-20-12-10-16)15-7-5-14(6-8-15)13-24-18-4-2-1-3-17(18)22-23-24/h1-12H,13H2,(H,20,21,25)
InChIKeyJJMCAFHPMDMEKY-UHFFFAOYSA-N
XLogP3.13
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(benzotriazol-1-ylmethyl)-N-(3-cyanophenyl)benzamide
CID 9083180
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4-(benzotriazol-1-ylmethyl)-N-(2-methylphenyl)benzamide
CID 8872279
4-(benzotriazol-1-ylmethyl)-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]benzamide
CID 46464969
4-(benzotriazol-1-ylmethyl)-N-[(2S)-5-methylhexan-2-yl]benzamide
CID 51883561
4-(benzotriazol-1-ylmethyl)-N-[2-(methanesulfonamido)ethyl]benzamide
CID 36907384
[4-[[[4-(benzotriazol-1-ylmethyl)benzoyl]amino]methyl]phenyl]methyl-diethylazanium
CID 8948581
methyl (2R)-2-[[4-(benzotriazol-1-ylmethyl)benzoyl]amino]-3-hydroxypropanoate
CID 9085092
N-(4-acetamidophenyl)-1-[(4-methylphenyl)methyl]benzotriazole-5-carboxamide
CID 53111510
N-[4-(benzotriazol-1-ylmethyl)phenyl]-2-oxochromene-3-carboxamide
CID 3734963
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-pyridin-4-ylbenzamide
CID 49016835
4-(benzotriazol-1-ylmethyl)-N-[[2-(dimethylamino)-3-pyridinyl]methyl]benzamide
CID 46455109

Frequently Asked Questions

What is the IUPAC name of 4-(benzotriazol-1-ylmethyl)-N-pyridin-4-ylbenzamide?
The IUPAC name of 4-(benzotriazol-1-ylmethyl)-N-pyridin-4-ylbenzamide (CID 27700431) is 4-(benzotriazol-1-ylmethyl)-N-pyridin-4-ylbenzamide.
What is the SMILES notation for 4-(benzotriazol-1-ylmethyl)-N-pyridin-4-ylbenzamide?
The canonical SMILES for 4-(benzotriazol-1-ylmethyl)-N-pyridin-4-ylbenzamide is O=C(Nc1ccncc1)c1ccc(Cn2nnc3ccccc32)cc1.
What is the InChIKey of 4-(benzotriazol-1-ylmethyl)-N-pyridin-4-ylbenzamide?
The InChIKey is JJMCAFHPMDMEKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5O/c25-19(21-16-9-11-20-12-10-16)15-7-5-14(6-8-15)13-24-18-4-2-1-3-17(18)22-23-24/h1-12H,13H2,(H,20,21,25).
What are the key properties of 4-(benzotriazol-1-ylmethyl)-N-pyridin-4-ylbenzamide?
4-(benzotriazol-1-ylmethyl)-N-pyridin-4-ylbenzamide has a molecular weight of 329.36 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzotriazol-1-ylmethyl)-N-pyridin-4-ylbenzamide is sourced from PubChem (CID 27700431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).