5-amino-1-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-(3-fluorophenyl)triazole-4-carboxamide

C19H19FN6O2 — CID 20853717

IUPAC5-amino-1-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-(3-fluorophenyl)triazole-4-carboxamide
SMILESCc1cccc(NC(=O)Cn2nnc(C(=O)Nc3cccc(F)c3)c2N)c1C
InChIInChI=1S/C19H19FN6O2/c1-11-5-3-8-15(12(11)2)23-16(27)10-26-18(21)17(24-25-26)19(28)22-14-7-4-6-13(20)9-14/h3-9H,10,21H2,1-2H3,(H,22,28)(H,23,27)
InChIKeyCPMUMADKLLKZSP-UHFFFAOYSA-N
MW382.40 g/mol
LogP2.51
Rot. Bonds5

About 5-amino-1-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-(3-fluorophenyl)triazole-4-carboxamide

5-amino-1-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-(3-fluorophenyl)triazole-4-carboxamide (PubChem CID 20853717) has the molecular formula C19H19FN6O2 and a molecular weight of 382.40 g/mol. Its IUPAC name is 5-amino-1-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-(3-fluorophenyl)triazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-1-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-(3-fluorophenyl)triazole-4-carboxamide
PubChem CID20853717
Molecular FormulaC19H19FN6O2
Molecular Weight382.40 g/mol
Exact Mass382.16
IUPAC Name5-amino-1-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-(3-fluorophenyl)triazole-4-carboxamide
SMILESCc1cccc(NC(=O)Cn2nnc(C(=O)Nc3cccc(F)c3)c2N)c1C
InChIInChI=1S/C19H19FN6O2/c1-11-5-3-8-15(12(11)2)23-16(27)10-26-18(21)17(24-25-26)19(28)22-14-7-4-6-13(20)9-14/h3-9H,10,21H2,1-2H3,(H,22,28)(H,23,27)
InChIKeyCPMUMADKLLKZSP-UHFFFAOYSA-N
XLogP2.51
TPSA114.93 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.40
LogP ≤ 52.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

5-amino-1-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-(2,4-dimethylphenyl)triazole-4-carboxamide
CID 20923677
5-amino-N-(2,3-dimethylphenyl)-1-[2-(4-methylanilino)-2-oxoethyl]triazole-4-carboxamide
CID 20853818
1-[2-(2,5-difluoroanilino)-2-oxoethyl]-N-(2,3-dimethylphenyl)-5-methyltriazole-4-carboxamide
CID 53365917
5-amino-1-[2-(3,4-dimethylanilino)-2-oxoethyl]-N-(3-fluoro-4-methylphenyl)triazole-4-carboxamide
CID 20923733
5-amino-N-(4-fluorophenyl)-1-[2-(2-methoxyanilino)-2-oxoethyl]triazole-4-carboxamide
CID 20923628
5-amino-1-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-N-[(4-fluorophenyl)methyl]triazole-4-carboxamide
CID 20853801
5-amino-N-(3-chloro-4-fluorophenyl)-1-[2-(2,5-dimethylanilino)-2-oxoethyl]triazole-4-carboxamide
CID 20923758
5-amino-1-[2-(4-methylanilino)-2-oxoethyl]-N-phenyltriazole-4-carboxamide
CID 22423731
5-amino-1-[2-(2-methoxyanilino)-2-oxoethyl]-N-(2-methylphenyl)triazole-4-carboxamide
CID 20853613
5-amino-N-(3-chlorophenyl)-1-[(3-fluorophenyl)methyl]triazole-4-carboxamide
CID 7386138
5-amino-1-[2-(4-methylanilino)-2-oxoethyl]-N-(4-methylphenyl)triazole-4-carboxamide
CID 2135667
5-amino-1-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-(4-ethylphenyl)triazole-4-carboxamide
CID 20853707

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-(3-fluorophenyl)triazole-4-carboxamide?
The IUPAC name of 5-amino-1-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-(3-fluorophenyl)triazole-4-carboxamide (CID 20853717) is 5-amino-1-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-(3-fluorophenyl)triazole-4-carboxamide.
What is the SMILES notation for 5-amino-1-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-(3-fluorophenyl)triazole-4-carboxamide?
The canonical SMILES for 5-amino-1-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-(3-fluorophenyl)triazole-4-carboxamide is Cc1cccc(NC(=O)Cn2nnc(C(=O)Nc3cccc(F)c3)c2N)c1C.
What is the InChIKey of 5-amino-1-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-(3-fluorophenyl)triazole-4-carboxamide?
The InChIKey is CPMUMADKLLKZSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN6O2/c1-11-5-3-8-15(12(11)2)23-16(27)10-26-18(21)17(24-25-26)19(28)22-14-7-4-6-13(20)9-14/h3-9H,10,21H2,1-2H3,(H,22,28)(H,23,27).
What are the key properties of 5-amino-1-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-(3-fluorophenyl)triazole-4-carboxamide?
5-amino-1-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-(3-fluorophenyl)triazole-4-carboxamide has a molecular weight of 382.40 g/mol, XLogP of 2.51, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-(3-fluorophenyl)triazole-4-carboxamide is sourced from PubChem (CID 20853717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).