N-(4-methoxyphenyl)-1-[5-methyl-1-(3-methylphenyl)triazole-4-carbonyl]pyrrolidine-2-carboxamide

C23H25N5O3 — CID 55872290

IUPACN-(4-methoxyphenyl)-1-[5-methyl-1-(3-methylphenyl)triazole-4-carbonyl]pyrrolidine-2-carboxamide
SMILESCOc1ccc(NC(=O)C2CCCN2C(=O)c2nnn(-c3cccc(C)c3)c2C)cc1
InChIInChI=1S/C23H25N5O3/c1-15-6-4-7-18(14-15)28-16(2)21(25-26-28)23(30)27-13-5-8-20(27)22(29)24-17-9-11-19(31-3)12-10-17/h4,6-7,9-12,14,20H,5,8,13H2,1-3H3,(H,24,29)
InChIKeySFFCKHMLSACATL-UHFFFAOYSA-N
MW419.49 g/mol
LogP3.14
Rot. Bonds5

About N-(4-methoxyphenyl)-1-[5-methyl-1-(3-methylphenyl)triazole-4-carbonyl]pyrrolidine-2-carboxamide

N-(4-methoxyphenyl)-1-[5-methyl-1-(3-methylphenyl)triazole-4-carbonyl]pyrrolidine-2-carboxamide (PubChem CID 55872290) has the molecular formula C23H25N5O3 and a molecular weight of 419.49 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-1-[5-methyl-1-(3-methylphenyl)triazole-4-carbonyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-1-[5-methyl-1-(3-methylphenyl)triazole-4-carbonyl]pyrrolidine-2-carboxamide
PubChem CID55872290
Molecular FormulaC23H25N5O3
Molecular Weight419.49 g/mol
Exact Mass419.20
IUPAC NameN-(4-methoxyphenyl)-1-[5-methyl-1-(3-methylphenyl)triazole-4-carbonyl]pyrrolidine-2-carboxamide
SMILESCOc1ccc(NC(=O)C2CCCN2C(=O)c2nnn(-c3cccc(C)c3)c2C)cc1
InChIInChI=1S/C23H25N5O3/c1-15-6-4-7-18(14-15)28-16(2)21(25-26-28)23(30)27-13-5-8-20(27)22(29)24-17-9-11-19(31-3)12-10-17/h4,6-7,9-12,14,20H,5,8,13H2,1-3H3,(H,24,29)
InChIKeySFFCKHMLSACATL-UHFFFAOYSA-N
XLogP3.14
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.49
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(4-methoxyphenyl)-1-[5-methyl-1-(3-methylphenyl)triazole-4-carbonyl]pyrrolidine-2-carboxamide 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

1-(3-acetamidobenzoyl)-N-(4-methoxyphenyl)pyrrolidine-2-carboxamide
CID 55966477
[2-(3-bromophenyl)pyrrolidin-1-yl]-[1-(3-methoxyphenyl)-5-methyltriazol-4-yl]methanone
CID 55889459
[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-[5-methyl-1-(3-methylphenyl)triazol-4-yl]methanone
CID 55856049
[1-(4-methoxyphenyl)-5-methyltriazol-4-yl]-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119649270
1-(furan-2-carbonyl)-N-(4-methoxyphenyl)pyrrolidine-2-carboxamide
CID 50875716
N-(4-methoxyphenyl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 78844859
1-(5-chloro-2-pyrrolidin-1-ylpyrimidine-4-carbonyl)-N-(4-methoxyphenyl)pyrrolidine-2-carboxamide
CID 55777834
[3-(methylamino)piperidin-1-yl]-[5-methyl-1-(3-methylphenyl)triazol-4-yl]methanone;hydrochloride
CID 119490412
(2R)-2-N-(4-acetamidophenyl)-1-N-(4-methoxyphenyl)pyrrolidine-1,2-dicarboxamide
CID 1468944
(2S)-1-(3-methoxybenzoyl)-N-phenylpyrrolidine-2-carboxamide
CID 28828175
N-(4-fluorophenyl)-1-(3-methylbenzoyl)pyrrolidine-2-carboxamide
CID 46747298
(2R)-1-(3-methoxybenzoyl)-N-phenylpyrrolidine-2-carboxamide
CID 28828173

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-1-[5-methyl-1-(3-methylphenyl)triazole-4-carbonyl]pyrrolidine-2-carboxamide?
The IUPAC name of N-(4-methoxyphenyl)-1-[5-methyl-1-(3-methylphenyl)triazole-4-carbonyl]pyrrolidine-2-carboxamide (CID 55872290) is N-(4-methoxyphenyl)-1-[5-methyl-1-(3-methylphenyl)triazole-4-carbonyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-(4-methoxyphenyl)-1-[5-methyl-1-(3-methylphenyl)triazole-4-carbonyl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-(4-methoxyphenyl)-1-[5-methyl-1-(3-methylphenyl)triazole-4-carbonyl]pyrrolidine-2-carboxamide is COc1ccc(NC(=O)C2CCCN2C(=O)c2nnn(-c3cccc(C)c3)c2C)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-1-[5-methyl-1-(3-methylphenyl)triazole-4-carbonyl]pyrrolidine-2-carboxamide?
The InChIKey is SFFCKHMLSACATL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O3/c1-15-6-4-7-18(14-15)28-16(2)21(25-26-28)23(30)27-13-5-8-20(27)22(29)24-17-9-11-19(31-3)12-10-17/h4,6-7,9-12,14,20H,5,8,13H2,1-3H3,(H,24,29).
What are the key properties of N-(4-methoxyphenyl)-1-[5-methyl-1-(3-methylphenyl)triazole-4-carbonyl]pyrrolidine-2-carboxamide?
N-(4-methoxyphenyl)-1-[5-methyl-1-(3-methylphenyl)triazole-4-carbonyl]pyrrolidine-2-carboxamide has a molecular weight of 419.49 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-1-[5-methyl-1-(3-methylphenyl)triazole-4-carbonyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 55872290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).