2-[3-methyl-1-(3-methylphenyl)-5-oxo-1,2,4-triazol-4-yl]-N-[2-[(3-methyl-2-pyridinyl)amino]ethyl]acetamide

C20H24N6O2 — CID 70727599

IUPAC2-[3-methyl-1-(3-methylphenyl)-5-oxo-1,2,4-triazol-4-yl]-N-[2-[(3-methyl-2-pyridinyl)amino]ethyl]acetamide
SMILESCc1cccc(-n2nc(C)n(CC(=O)NCCNc3ncccc3C)c2=O)c1
InChIInChI=1S/C20H24N6O2/c1-14-6-4-8-17(12-14)26-20(28)25(16(3)24-26)13-18(27)21-10-11-23-19-15(2)7-5-9-22-19/h4-9,12H,10-11,13H2,1-3H3,(H,21,27)(H,22,23)
InChIKeyUWMLCACLJHSZQQ-UHFFFAOYSA-N
MW380.45 g/mol
LogP1.58
Rot. Bonds7

About 2-[3-methyl-1-(3-methylphenyl)-5-oxo-1,2,4-triazol-4-yl]-N-[2-[(3-methyl-2-pyridinyl)amino]ethyl]acetamide

2-[3-methyl-1-(3-methylphenyl)-5-oxo-1,2,4-triazol-4-yl]-N-[2-[(3-methyl-2-pyridinyl)amino]ethyl]acetamide (PubChem CID 70727599) has the molecular formula C20H24N6O2 and a molecular weight of 380.45 g/mol. Its IUPAC name is 2-[3-methyl-1-(3-methylphenyl)-5-oxo-1,2,4-triazol-4-yl]-N-[2-[(3-methyl-2-pyridinyl)amino]ethyl]acetamide.

Molecular Properties

Compound Name2-[3-methyl-1-(3-methylphenyl)-5-oxo-1,2,4-triazol-4-yl]-N-[2-[(3-methyl-2-pyridinyl)amino]ethyl]acetamide
PubChem CID70727599
Molecular FormulaC20H24N6O2
Molecular Weight380.45 g/mol
Exact Mass380.20
IUPAC Name2-[3-methyl-1-(3-methylphenyl)-5-oxo-1,2,4-triazol-4-yl]-N-[2-[(3-methyl-2-pyridinyl)amino]ethyl]acetamide
SMILESCc1cccc(-n2nc(C)n(CC(=O)NCCNc3ncccc3C)c2=O)c1
InChIInChI=1S/C20H24N6O2/c1-14-6-4-8-17(12-14)26-20(28)25(16(3)24-26)13-18(27)21-10-11-23-19-15(2)7-5-9-22-19/h4-9,12H,10-11,13H2,1-3H3,(H,21,27)(H,22,23)
InChIKeyUWMLCACLJHSZQQ-UHFFFAOYSA-N
XLogP1.58
TPSA93.84 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[(3-methyl-2-pyridinyl)amino]ethyl]-3-methylsulfanylpropanamide
CID 91784355
N-[(6-methyl-1H-benzimidazol-2-yl)methyl]-2-(3-methyl-5-oxo-1-phenyl-1,2,4-triazol-4-yl)acetamide
CID 70779648
N-ethyl-2-(3-methylphenyl)-4-[(2-methylphenyl)methyl]-3,5-dioxo-1,2,4-triazine-6-carboxamide
CID 46005082
N-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-2-(3-methyl-5-oxo-1-phenyl-1,2,4-triazol-4-yl)acetamide
CID 70745382
1-[2-[3-methyl-1-(3-methylphenyl)-5-oxo-1,2,4-triazol-4-yl]ethyl]triazole-4,5-dicarbohydrazide
CID 23659052
N-(2-methoxyethyl)-2-(3-methylphenyl)-3,5-dioxo-4-propyl-1,2,4-triazine-6-carboxamide
CID 24712676
2-[1-(4-chlorophenyl)-3-methyl-5-oxo-1,2,4-triazol-4-yl]-N-[2-(5-methylfuran-2-yl)ethyl]acetamide
CID 70718190
3-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]propanamide
CID 55834515
2,8-dimethyl-N-[2-[(3-methyl-2-pyridinyl)amino]ethyl]quinoline-4-carboxamide
CID 70718889
3-(3,4-dimethylphenyl)-1-(3-methylphenyl)-N-(pyridin-2-ylmethyl)pyrazole-5-carboxamide
CID 3934182
N-[2-[(3-methyl-2-pyridinyl)amino]ethyl]-3-(tetrazol-1-yl)-1H-pyrazole-5-carboxamide
CID 146037965
2-[3-(4-methylphenyl)-2-oxoimidazo[4,5-b]pyridin-1-yl]-N-propylacetamide
CID 71841486

Frequently Asked Questions

What is the IUPAC name of 2-[3-methyl-1-(3-methylphenyl)-5-oxo-1,2,4-triazol-4-yl]-N-[2-[(3-methyl-2-pyridinyl)amino]ethyl]acetamide?
The IUPAC name of 2-[3-methyl-1-(3-methylphenyl)-5-oxo-1,2,4-triazol-4-yl]-N-[2-[(3-methyl-2-pyridinyl)amino]ethyl]acetamide (CID 70727599) is 2-[3-methyl-1-(3-methylphenyl)-5-oxo-1,2,4-triazol-4-yl]-N-[2-[(3-methyl-2-pyridinyl)amino]ethyl]acetamide.
What is the SMILES notation for 2-[3-methyl-1-(3-methylphenyl)-5-oxo-1,2,4-triazol-4-yl]-N-[2-[(3-methyl-2-pyridinyl)amino]ethyl]acetamide?
The canonical SMILES for 2-[3-methyl-1-(3-methylphenyl)-5-oxo-1,2,4-triazol-4-yl]-N-[2-[(3-methyl-2-pyridinyl)amino]ethyl]acetamide is Cc1cccc(-n2nc(C)n(CC(=O)NCCNc3ncccc3C)c2=O)c1.
What is the InChIKey of 2-[3-methyl-1-(3-methylphenyl)-5-oxo-1,2,4-triazol-4-yl]-N-[2-[(3-methyl-2-pyridinyl)amino]ethyl]acetamide?
The InChIKey is UWMLCACLJHSZQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O2/c1-14-6-4-8-17(12-14)26-20(28)25(16(3)24-26)13-18(27)21-10-11-23-19-15(2)7-5-9-22-19/h4-9,12H,10-11,13H2,1-3H3,(H,21,27)(H,22,23).
What are the key properties of 2-[3-methyl-1-(3-methylphenyl)-5-oxo-1,2,4-triazol-4-yl]-N-[2-[(3-methyl-2-pyridinyl)amino]ethyl]acetamide?
2-[3-methyl-1-(3-methylphenyl)-5-oxo-1,2,4-triazol-4-yl]-N-[2-[(3-methyl-2-pyridinyl)amino]ethyl]acetamide has a molecular weight of 380.45 g/mol, XLogP of 1.58, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methyl-1-(3-methylphenyl)-5-oxo-1,2,4-triazol-4-yl]-N-[2-[(3-methyl-2-pyridinyl)amino]ethyl]acetamide is sourced from PubChem (CID 70727599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).