N-[2-(dimethylamino)-2-oxoethyl]-N-methyl-1-(3-methylphenyl)-5-phenyl-1,2,4-triazole-3-carboxamide

C21H23N5O2 — CID 42880927

IUPACN-[2-(dimethylamino)-2-oxoethyl]-N-methyl-1-(3-methylphenyl)-5-phenyl-1,2,4-triazole-3-carboxamide
SMILESCc1cccc(-n2nc(C(=O)N(C)CC(=O)N(C)C)nc2-c2ccccc2)c1
InChIInChI=1S/C21H23N5O2/c1-15-9-8-12-17(13-15)26-20(16-10-6-5-7-11-16)22-19(23-26)21(28)25(4)14-18(27)24(2)3/h5-13H,14H2,1-4H3
InChIKeyQGGPGPFCOGVSMD-UHFFFAOYSA-N
MW377.45 g/mol
LogP2.40
Rot. Bonds5

About N-[2-(dimethylamino)-2-oxoethyl]-N-methyl-1-(3-methylphenyl)-5-phenyl-1,2,4-triazole-3-carboxamide

N-[2-(dimethylamino)-2-oxoethyl]-N-methyl-1-(3-methylphenyl)-5-phenyl-1,2,4-triazole-3-carboxamide (PubChem CID 42880927) has the molecular formula C21H23N5O2 and a molecular weight of 377.45 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-oxoethyl]-N-methyl-1-(3-methylphenyl)-5-phenyl-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-oxoethyl]-N-methyl-1-(3-methylphenyl)-5-phenyl-1,2,4-triazole-3-carboxamide
PubChem CID42880927
Molecular FormulaC21H23N5O2
Molecular Weight377.45 g/mol
Exact Mass377.19
IUPAC NameN-[2-(dimethylamino)-2-oxoethyl]-N-methyl-1-(3-methylphenyl)-5-phenyl-1,2,4-triazole-3-carboxamide
SMILESCc1cccc(-n2nc(C(=O)N(C)CC(=O)N(C)C)nc2-c2ccccc2)c1
InChIInChI=1S/C21H23N5O2/c1-15-9-8-12-17(13-15)26-20(16-10-6-5-7-11-16)22-19(23-26)21(28)25(4)14-18(27)24(2)3/h5-13H,14H2,1-4H3
InChIKeyQGGPGPFCOGVSMD-UHFFFAOYSA-N
XLogP2.40
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-methylphenyl)-5-phenyl-N-propyl-1,2,4-triazole-3-carboxamide
CID 50745472
1-(3-methylphenyl)-N-(2-methylpropyl)-5-phenyl-1,2,4-triazole-3-carboxamide
CID 42692739
N-methyl-1-(3-methylphenyl)-N-(1-methylpyrrolidin-3-yl)-5-phenyl-1,2,4-triazole-3-carboxamide
CID 42692790
5-benzyl-N-[2-(dimethylamino)-2-oxoethyl]-N-methyl-1-phenyl-1,2,4-triazole-3-carboxamide
CID 42880948
1,5-bis(3-methylphenyl)-1,2,4-triazole-3-carboxamide
CID 13292301
N-(2-cyanoethyl)-N-methyl-1,5-diphenyl-1,2,4-triazole-3-carboxamide
CID 78796847
N-(3-amino-2,2-dimethylpropyl)-N-methyl-1,5-diphenyl-1,2,4-triazole-3-carboxamide;hydrochloride
CID 119653023
1-(3-methylphenyl)-5-phenyl-N-(4-propan-2-ylphenyl)-1,2,4-triazole-3-carboxamide
CID 42692774
[4-(2-methoxyethyl)piperazin-1-yl]-[1-(3-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]methanone
CID 42880923
N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-1,5-diphenyl-1,2,4-triazole-3-carboxamide
CID 17052353
N-(1,2-diphenylethyl)-1-(3-methylphenyl)-5-phenyl-1,2,4-triazole-3-carboxamide
CID 42692756
N,N-dimethyl-2-[4-[5-phenyl-1-[3-(trifluoromethyl)phenyl]-1,2,4-triazole-3-carbonyl]piperazin-1-yl]acetamide
CID 43020034

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-oxoethyl]-N-methyl-1-(3-methylphenyl)-5-phenyl-1,2,4-triazole-3-carboxamide?
The IUPAC name of N-[2-(dimethylamino)-2-oxoethyl]-N-methyl-1-(3-methylphenyl)-5-phenyl-1,2,4-triazole-3-carboxamide (CID 42880927) is N-[2-(dimethylamino)-2-oxoethyl]-N-methyl-1-(3-methylphenyl)-5-phenyl-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-oxoethyl]-N-methyl-1-(3-methylphenyl)-5-phenyl-1,2,4-triazole-3-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)-2-oxoethyl]-N-methyl-1-(3-methylphenyl)-5-phenyl-1,2,4-triazole-3-carboxamide is Cc1cccc(-n2nc(C(=O)N(C)CC(=O)N(C)C)nc2-c2ccccc2)c1.
What is the InChIKey of N-[2-(dimethylamino)-2-oxoethyl]-N-methyl-1-(3-methylphenyl)-5-phenyl-1,2,4-triazole-3-carboxamide?
The InChIKey is QGGPGPFCOGVSMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O2/c1-15-9-8-12-17(13-15)26-20(16-10-6-5-7-11-16)22-19(23-26)21(28)25(4)14-18(27)24(2)3/h5-13H,14H2,1-4H3.
What are the key properties of N-[2-(dimethylamino)-2-oxoethyl]-N-methyl-1-(3-methylphenyl)-5-phenyl-1,2,4-triazole-3-carboxamide?
N-[2-(dimethylamino)-2-oxoethyl]-N-methyl-1-(3-methylphenyl)-5-phenyl-1,2,4-triazole-3-carboxamide has a molecular weight of 377.45 g/mol, XLogP of 2.40, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-oxoethyl]-N-methyl-1-(3-methylphenyl)-5-phenyl-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 42880927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).