N-[3-[[acetyl(methyl)amino]methyl]phenyl]-5-methyl-2-phenyltriazole-4-carboxamide

C20H21N5O2 — CID 33227743

IUPACN-[3-[[acetyl(methyl)amino]methyl]phenyl]-5-methyl-2-phenyltriazole-4-carboxamide
SMILESCC(=O)N(C)Cc1cccc(NC(=O)c2nn(-c3ccccc3)nc2C)c1
InChIInChI=1S/C20H21N5O2/c1-14-19(23-25(22-14)18-10-5-4-6-11-18)20(27)21-17-9-7-8-16(12-17)13-24(3)15(2)26/h4-12H,13H2,1-3H3,(H,21,27)
InChIKeyIAWJROJGRPIHLO-UHFFFAOYSA-N
MW363.42 g/mol
LogP2.81
Rot. Bonds5

About N-[3-[[acetyl(methyl)amino]methyl]phenyl]-5-methyl-2-phenyltriazole-4-carboxamide

N-[3-[[acetyl(methyl)amino]methyl]phenyl]-5-methyl-2-phenyltriazole-4-carboxamide (PubChem CID 33227743) has the molecular formula C20H21N5O2 and a molecular weight of 363.42 g/mol. Its IUPAC name is N-[3-[[acetyl(methyl)amino]methyl]phenyl]-5-methyl-2-phenyltriazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-[[acetyl(methyl)amino]methyl]phenyl]-5-methyl-2-phenyltriazole-4-carboxamide
PubChem CID33227743
Molecular FormulaC20H21N5O2
Molecular Weight363.42 g/mol
Exact Mass363.17
IUPAC NameN-[3-[[acetyl(methyl)amino]methyl]phenyl]-5-methyl-2-phenyltriazole-4-carboxamide
SMILESCC(=O)N(C)Cc1cccc(NC(=O)c2nn(-c3ccccc3)nc2C)c1
InChIInChI=1S/C20H21N5O2/c1-14-19(23-25(22-14)18-10-5-4-6-11-18)20(27)21-17-9-7-8-16(12-17)13-24(3)15(2)26/h4-12H,13H2,1-3H3,(H,21,27)
InChIKeyIAWJROJGRPIHLO-UHFFFAOYSA-N
XLogP2.81
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,4-dichlorophenyl)-5-methyl-2-phenyltriazole-4-carboxamide
CID 26085730
N-(4-acetylphenyl)-5-methyl-2-phenyltriazole-4-carboxamide
CID 8712853
N-[2-(dimethylamino)phenyl]-5-methyl-2-phenyltriazole-4-carboxamide
CID 46687305
N-[3-[[acetyl(methyl)amino]methyl]phenyl]-1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 39466398
N-[4-(carbamoylamino)phenyl]-5-methyl-2-phenyltriazole-4-carboxamide
CID 33151610
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-methyl-2-phenyltriazole-4-carboxamide
CID 8900193
5-methyl-2-phenyltriazole-4-carbohydrazide
CID 2774345
N-[3-[[acetyl(methyl)amino]methyl]phenyl]-3,5-dimethoxy-4-methylbenzamide
CID 38585679
5-methyl-2-phenyl-N-(3,4,5-trimethoxyphenyl)triazole-4-carboxamide
CID 17435427
5-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)-2-phenyltriazole-4-carboxamide
CID 9490444
N-hydroxy-5-methyl-2-phenyltriazole-4-carboxamide
CID 135968921
N-[3-[[acetyl(methyl)amino]methyl]phenyl]-3-aminobutanamide
CID 54924609

Frequently Asked Questions

What is the IUPAC name of N-[3-[[acetyl(methyl)amino]methyl]phenyl]-5-methyl-2-phenyltriazole-4-carboxamide?
The IUPAC name of N-[3-[[acetyl(methyl)amino]methyl]phenyl]-5-methyl-2-phenyltriazole-4-carboxamide (CID 33227743) is N-[3-[[acetyl(methyl)amino]methyl]phenyl]-5-methyl-2-phenyltriazole-4-carboxamide.
What is the SMILES notation for N-[3-[[acetyl(methyl)amino]methyl]phenyl]-5-methyl-2-phenyltriazole-4-carboxamide?
The canonical SMILES for N-[3-[[acetyl(methyl)amino]methyl]phenyl]-5-methyl-2-phenyltriazole-4-carboxamide is CC(=O)N(C)Cc1cccc(NC(=O)c2nn(-c3ccccc3)nc2C)c1.
What is the InChIKey of N-[3-[[acetyl(methyl)amino]methyl]phenyl]-5-methyl-2-phenyltriazole-4-carboxamide?
The InChIKey is IAWJROJGRPIHLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O2/c1-14-19(23-25(22-14)18-10-5-4-6-11-18)20(27)21-17-9-7-8-16(12-17)13-24(3)15(2)26/h4-12H,13H2,1-3H3,(H,21,27).
What are the key properties of N-[3-[[acetyl(methyl)amino]methyl]phenyl]-5-methyl-2-phenyltriazole-4-carboxamide?
N-[3-[[acetyl(methyl)amino]methyl]phenyl]-5-methyl-2-phenyltriazole-4-carboxamide has a molecular weight of 363.42 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[acetyl(methyl)amino]methyl]phenyl]-5-methyl-2-phenyltriazole-4-carboxamide is sourced from PubChem (CID 33227743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).