2-(benzylamino)-N-methyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]benzamide

C19H21N5O — CID 75436616

IUPAC2-(benzylamino)-N-methyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]benzamide
SMILESCN(Cc1ncnn1C)C(=O)c1ccccc1NCc1ccccc1
InChIInChI=1S/C19H21N5O/c1-23(13-18-21-14-22-24(18)2)19(25)16-10-6-7-11-17(16)20-12-15-8-4-3-5-9-15/h3-11,14,20H,12-13H2,1-2H3
InChIKeyQIYNXCQSZUDEPL-UHFFFAOYSA-N
MW335.41 g/mol
LogP2.70
Rot. Bonds6

About 2-(benzylamino)-N-methyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]benzamide

2-(benzylamino)-N-methyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]benzamide (PubChem CID 75436616) has the molecular formula C19H21N5O and a molecular weight of 335.41 g/mol. Its IUPAC name is 2-(benzylamino)-N-methyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]benzamide.

Molecular Properties

Compound Name2-(benzylamino)-N-methyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]benzamide
PubChem CID75436616
Molecular FormulaC19H21N5O
Molecular Weight335.41 g/mol
Exact Mass335.17
IUPAC Name2-(benzylamino)-N-methyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]benzamide
SMILESCN(Cc1ncnn1C)C(=O)c1ccccc1NCc1ccccc1
InChIInChI=1S/C19H21N5O/c1-23(13-18-21-14-22-24(18)2)19(25)16-10-6-7-11-17(16)20-12-15-8-4-3-5-9-15/h3-11,14,20H,12-13H2,1-2H3
InChIKeyQIYNXCQSZUDEPL-UHFFFAOYSA-N
XLogP2.70
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-benzamido-N-(3-imidazol-1-ylpropyl)benzamide
CID 662097
1-[[Benzyl(methyl)amino]methyl]-4-(3-methylbutyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 2568195
N-(4-acetylphenyl)-1-phenyl-1H-1,2,4-triazole-3-carboxamide
CID 2984874
N-{4-[4-(2-fluorobenzoyl)-1-piperazinyl]phenyl}-1H-1,2,4-triazole-3-carboxamide
CID 2991105
N-({5-[(2-anilino-2-oxoethyl)sulfanyl]-4-methyl-4H-1,2,4-triazol-3-yl}methyl)-4-methylbenzamide
CID 4148392
3-{4-benzyl-5-oxo-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-1-yl}-N-[2-(2,6-dimethylpiperidin-1-yl)ethyl]propanamide
CID 20880788
2-(pyridin-4-ylmethylamino)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]benzamide
CID 72700883
2-fluoro-N-[1-(4-methyl-5-{[(4-oxo-3,4-dihydroquinazolin-2-yl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl)ethyl]benzamide
CID 135425400
N-[(4-methylphenyl)methyl]-2-(tetrazol-1-yl)benzamide
CID 2462594
4-(dimethylamino)-N-[3-(1,2,4-triazol-1-yl)propyl]benzamide
CID 13588891
3-(4-benzyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)-N-[2-(2-methylpiperidin-1-yl)ethyl]propanamide
CID 20880782
4-[[2-[[5-(anilinomethyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-N-methylbenzamide
CID 62705494

Frequently Asked Questions

What is the IUPAC name of 2-(benzylamino)-N-methyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]benzamide?
The IUPAC name of 2-(benzylamino)-N-methyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]benzamide (CID 75436616) is 2-(benzylamino)-N-methyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]benzamide.
What is the SMILES notation for 2-(benzylamino)-N-methyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]benzamide?
The canonical SMILES for 2-(benzylamino)-N-methyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]benzamide is CN(Cc1ncnn1C)C(=O)c1ccccc1NCc1ccccc1.
What is the InChIKey of 2-(benzylamino)-N-methyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]benzamide?
The InChIKey is QIYNXCQSZUDEPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O/c1-23(13-18-21-14-22-24(18)2)19(25)16-10-6-7-11-17(16)20-12-15-8-4-3-5-9-15/h3-11,14,20H,12-13H2,1-2H3.
What are the key properties of 2-(benzylamino)-N-methyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]benzamide?
2-(benzylamino)-N-methyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]benzamide has a molecular weight of 335.41 g/mol, XLogP of 2.70, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzylamino)-N-methyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]benzamide is sourced from PubChem (CID 75436616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).