4-methyl-N-[[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenyl]methyl]benzamide

C18H17N5O — CID 167282073

IUPAC4-methyl-N-[[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenyl]methyl]benzamide
SMILESCc1ccc(C(=O)NCc2ccc(-c3nnc(C)nn3)cc2)cc1
InChIInChI=1S/C18H17N5O/c1-12-3-7-16(8-4-12)18(24)19-11-14-5-9-15(10-6-14)17-22-20-13(2)21-23-17/h3-10H,11H2,1-2H3,(H,19,24)
InChIKeyHSLJSPQADWYSAU-UHFFFAOYSA-N
MW319.37 g/mol
LogP2.48
Rot. Bonds4

About 4-methyl-N-[[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenyl]methyl]benzamide

4-methyl-N-[[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenyl]methyl]benzamide (PubChem CID 167282073) has the molecular formula C18H17N5O and a molecular weight of 319.37 g/mol. Its IUPAC name is 4-methyl-N-[[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name4-methyl-N-[[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenyl]methyl]benzamide
PubChem CID167282073
Molecular FormulaC18H17N5O
Molecular Weight319.37 g/mol
Exact Mass319.14
IUPAC Name4-methyl-N-[[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenyl]methyl]benzamide
SMILESCc1ccc(C(=O)NCc2ccc(-c3nnc(C)nn3)cc2)cc1
InChIInChI=1S/C18H17N5O/c1-12-3-7-16(8-4-12)18(24)19-11-14-5-9-15(10-6-14)17-22-20-13(2)21-23-17/h3-10H,11H2,1-2H3,(H,19,24)
InChIKeyHSLJSPQADWYSAU-UHFFFAOYSA-N
XLogP2.48
TPSA80.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-methyl-N-[[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenyl]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

N-[(4-methylphenyl)methyl]-4-phenylbenzamide
CID 1228171
2-methyl-N-[[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenyl]methyl]propanamide
CID 139307179
N-[(4-tert-butylphenyl)methyl]-4-methylbenzamide
CID 97423443
4-(methylamino)-N-[(4-methylphenyl)methyl]benzamide
CID 62167130
4-[[(4-methylbenzoyl)amino]methyl]benzenesulfonyl chloride
CID 98622583
4-(dimethylamino)-N-[(4-methylphenyl)methyl]benzamide
CID 669457
N-[(4-methylphenyl)methyl]-4-propan-2-ylbenzamide
CID 2671711
3,5-dihydroxy-N-[(4-methylphenyl)methyl]benzamide
CID 103891536
4-methyl-N-[[4-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]methyl]benzamide
CID 17027405
N-[[4-(3-aminopropylcarbamoyl)phenyl]methyl]-4-methylbenzamide
CID 82097442
[4-[(4-methylphenyl)methylcarbamoyl]phenyl] acetate
CID 854746
N-(2-hydroxyethyl)-2-[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenyl]acetamide
CID 129273900

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenyl]methyl]benzamide?
The IUPAC name of 4-methyl-N-[[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenyl]methyl]benzamide (CID 167282073) is 4-methyl-N-[[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenyl]methyl]benzamide.
What is the SMILES notation for 4-methyl-N-[[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenyl]methyl]benzamide?
The canonical SMILES for 4-methyl-N-[[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenyl]methyl]benzamide is Cc1ccc(C(=O)NCc2ccc(-c3nnc(C)nn3)cc2)cc1.
What is the InChIKey of 4-methyl-N-[[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenyl]methyl]benzamide?
The InChIKey is HSLJSPQADWYSAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O/c1-12-3-7-16(8-4-12)18(24)19-11-14-5-9-15(10-6-14)17-22-20-13(2)21-23-17/h3-10H,11H2,1-2H3,(H,19,24).
What are the key properties of 4-methyl-N-[[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenyl]methyl]benzamide?
4-methyl-N-[[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenyl]methyl]benzamide has a molecular weight of 319.37 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenyl]methyl]benzamide is sourced from PubChem (CID 167282073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).