N-[4-(cyclopropylcarbamoyl)phenyl]-2-(2,4-dimethylphenyl)-5-methyltriazole-4-carboxamide

C22H23N5O2 — CID 46553835

IUPACN-[4-(cyclopropylcarbamoyl)phenyl]-2-(2,4-dimethylphenyl)-5-methyltriazole-4-carboxamide
SMILESCc1ccc(-n2nc(C)c(C(=O)Nc3ccc(C(=O)NC4CC4)cc3)n2)c(C)c1
InChIInChI=1S/C22H23N5O2/c1-13-4-11-19(14(2)12-13)27-25-15(3)20(26-27)22(29)24-17-7-5-16(6-8-17)21(28)23-18-9-10-18/h4-8,11-12,18H,9-10H2,1-3H3,(H,23,28)(H,24,29)
InChIKeyUDWMANCRAHQWFH-UHFFFAOYSA-N
MW389.46 g/mol
LogP3.34
Rot. Bonds5

About N-[4-(cyclopropylcarbamoyl)phenyl]-2-(2,4-dimethylphenyl)-5-methyltriazole-4-carboxamide

N-[4-(cyclopropylcarbamoyl)phenyl]-2-(2,4-dimethylphenyl)-5-methyltriazole-4-carboxamide (PubChem CID 46553835) has the molecular formula C22H23N5O2 and a molecular weight of 389.46 g/mol. Its IUPAC name is N-[4-(cyclopropylcarbamoyl)phenyl]-2-(2,4-dimethylphenyl)-5-methyltriazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-(cyclopropylcarbamoyl)phenyl]-2-(2,4-dimethylphenyl)-5-methyltriazole-4-carboxamide
PubChem CID46553835
Molecular FormulaC22H23N5O2
Molecular Weight389.46 g/mol
Exact Mass389.19
IUPAC NameN-[4-(cyclopropylcarbamoyl)phenyl]-2-(2,4-dimethylphenyl)-5-methyltriazole-4-carboxamide
SMILESCc1ccc(-n2nc(C)c(C(=O)Nc3ccc(C(=O)NC4CC4)cc3)n2)c(C)c1
InChIInChI=1S/C22H23N5O2/c1-13-4-11-19(14(2)12-13)27-25-15(3)20(26-27)22(29)24-17-7-5-16(6-8-17)21(28)23-18-9-10-18/h4-8,11-12,18H,9-10H2,1-3H3,(H,23,28)(H,24,29)
InChIKeyUDWMANCRAHQWFH-UHFFFAOYSA-N
XLogP3.34
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-[[2-(2,4-dimethylphenyl)-5-methyltriazole-4-carbonyl]amino]benzoate
CID 30847810
N-[4-(cyclopropylcarbamoyl)phenyl]-2,5-dimethylpyrazole-3-carboxamide
CID 87024230
N-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-2-(2,4-dimethylphenyl)-5-methyltriazole-4-carboxamide
CID 46494652
N-(5-chloro-2,4-dimethoxyphenyl)-2-(2,4-dimethylphenyl)-5-methyltriazole-4-carboxamide
CID 42058107
N-[4-(cyclopropylcarbamoyl)phenyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 51299884
2-(2,4-dimethylphenyl)-N'-(2-hydroxybenzoyl)-5-methyltriazole-4-carbohydrazide
CID 27698207
2-(2,4-dimethylphenyl)-5-methyl-N-[2-(pyrimidin-2-ylamino)ethyl]triazole-4-carboxamide
CID 55647317
N-cyclopropyl-4-[(2,5-dimethylphenyl)sulfonylamino]benzamide
CID 4209618
1-N-cyclopropyl-4-N-(3-methylphenyl)benzene-1,4-dicarboxamide
CID 109043347
N-cyclohexyl-4-[(2,4-dimethylphenyl)carbamoylamino]benzamide
CID 17180897
methyl 3-[[2-(2,4-dimethylphenyl)-5-methyltriazole-4-carbonyl]amino]-2-methylbenzoate
CID 43055005
1-N-cyclopropyl-4-N-(4-fluorophenyl)benzene-1,4-dicarboxamide
CID 109043370

Frequently Asked Questions

What is the IUPAC name of N-[4-(cyclopropylcarbamoyl)phenyl]-2-(2,4-dimethylphenyl)-5-methyltriazole-4-carboxamide?
The IUPAC name of N-[4-(cyclopropylcarbamoyl)phenyl]-2-(2,4-dimethylphenyl)-5-methyltriazole-4-carboxamide (CID 46553835) is N-[4-(cyclopropylcarbamoyl)phenyl]-2-(2,4-dimethylphenyl)-5-methyltriazole-4-carboxamide.
What is the SMILES notation for N-[4-(cyclopropylcarbamoyl)phenyl]-2-(2,4-dimethylphenyl)-5-methyltriazole-4-carboxamide?
The canonical SMILES for N-[4-(cyclopropylcarbamoyl)phenyl]-2-(2,4-dimethylphenyl)-5-methyltriazole-4-carboxamide is Cc1ccc(-n2nc(C)c(C(=O)Nc3ccc(C(=O)NC4CC4)cc3)n2)c(C)c1.
What is the InChIKey of N-[4-(cyclopropylcarbamoyl)phenyl]-2-(2,4-dimethylphenyl)-5-methyltriazole-4-carboxamide?
The InChIKey is UDWMANCRAHQWFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O2/c1-13-4-11-19(14(2)12-13)27-25-15(3)20(26-27)22(29)24-17-7-5-16(6-8-17)21(28)23-18-9-10-18/h4-8,11-12,18H,9-10H2,1-3H3,(H,23,28)(H,24,29).
What are the key properties of N-[4-(cyclopropylcarbamoyl)phenyl]-2-(2,4-dimethylphenyl)-5-methyltriazole-4-carboxamide?
N-[4-(cyclopropylcarbamoyl)phenyl]-2-(2,4-dimethylphenyl)-5-methyltriazole-4-carboxamide has a molecular weight of 389.46 g/mol, XLogP of 3.34, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cyclopropylcarbamoyl)phenyl]-2-(2,4-dimethylphenyl)-5-methyltriazole-4-carboxamide is sourced from PubChem (CID 46553835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).