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

C26H31N5O2 — CID 55894881

IUPACN-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]-5-methyl-1-(3-methylphenyl)triazole-4-carboxamide
SMILESCc1cccc(-n2nnc(C(=O)Nc3cc(C(=O)N4CC(C)CC(C)C4)ccc3C)c2C)c1
InChIInChI=1S/C26H31N5O2/c1-16-7-6-8-22(12-16)31-20(5)24(28-29-31)25(32)27-23-13-21(10-9-19(23)4)26(33)30-14-17(2)11-18(3)15-30/h6-10,12-13,17-18H,11,14-15H2,1-5H3,(H,27,32)
InChIKeyXEXUDUGTEGDKGX-UHFFFAOYSA-N
MW445.57 g/mol
LogP4.56
Rot. Bonds4

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

N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]-5-methyl-1-(3-methylphenyl)triazole-4-carboxamide (PubChem CID 55894881) has the molecular formula C26H31N5O2 and a molecular weight of 445.57 g/mol. Its IUPAC name is N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]-5-methyl-1-(3-methylphenyl)triazole-4-carboxamide.

Molecular Properties

Compound NameN-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]-5-methyl-1-(3-methylphenyl)triazole-4-carboxamide
PubChem CID55894881
Molecular FormulaC26H31N5O2
Molecular Weight445.57 g/mol
Exact Mass445.25
IUPAC NameN-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]-5-methyl-1-(3-methylphenyl)triazole-4-carboxamide
SMILESCc1cccc(-n2nnc(C(=O)Nc3cc(C(=O)N4CC(C)CC(C)C4)ccc3C)c2C)c1
InChIInChI=1S/C26H31N5O2/c1-16-7-6-8-22(12-16)31-20(5)24(28-29-31)25(32)27-23-13-21(10-9-19(23)4)26(33)30-14-17(2)11-18(3)15-30/h6-10,12-13,17-18H,11,14-15H2,1-5H3,(H,27,32)
InChIKeyXEXUDUGTEGDKGX-UHFFFAOYSA-N
XLogP4.56
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.57
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]-1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 55896655
N-(2,5-dimethylphenyl)-1-(3-ethylphenyl)-5-methyltriazole-4-carboxamide
CID 22516245
N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]-3-methyl-4-nitrobenzamide
CID 60534600
N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 55895253
4-chloro-N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]pyridine-2-carboxamide
CID 87026950
5-methyl-1-(3-methylphenyl)-N-(3-oxo-3-piperidin-1-ylpropyl)triazole-4-carboxamide
CID 55881868
N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]-2-hydroxy-3-methoxybenzamide
CID 112846190
5-methyl-1-(3-methylphenyl)-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]triazole-4-carboxamide
CID 55912526
N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]-2-methyl-3-nitrobenzamide
CID 60534688
5-methyl-1-(3-methylphenyl)-N-(3-methyl-4-pyrrolidin-1-ylphenyl)triazole-4-carboxamide
CID 55886109
N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]-3-(propan-2-ylsulfamoyl)benzamide
CID 55895387
N-(2,4-dimethylphenyl)-5-methyl-1-phenyltriazole-4-carboxamide
CID 2150249

Frequently Asked Questions

What is the IUPAC name of N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]-5-methyl-1-(3-methylphenyl)triazole-4-carboxamide?
The IUPAC name of N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]-5-methyl-1-(3-methylphenyl)triazole-4-carboxamide (CID 55894881) is N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]-5-methyl-1-(3-methylphenyl)triazole-4-carboxamide.
What is the SMILES notation for N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]-5-methyl-1-(3-methylphenyl)triazole-4-carboxamide?
The canonical SMILES for N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]-5-methyl-1-(3-methylphenyl)triazole-4-carboxamide is Cc1cccc(-n2nnc(C(=O)Nc3cc(C(=O)N4CC(C)CC(C)C4)ccc3C)c2C)c1.
What is the InChIKey of N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]-5-methyl-1-(3-methylphenyl)triazole-4-carboxamide?
The InChIKey is XEXUDUGTEGDKGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N5O2/c1-16-7-6-8-22(12-16)31-20(5)24(28-29-31)25(32)27-23-13-21(10-9-19(23)4)26(33)30-14-17(2)11-18(3)15-30/h6-10,12-13,17-18H,11,14-15H2,1-5H3,(H,27,32).
What are the key properties of N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]-5-methyl-1-(3-methylphenyl)triazole-4-carboxamide?
N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]-5-methyl-1-(3-methylphenyl)triazole-4-carboxamide has a molecular weight of 445.57 g/mol, XLogP of 4.56, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]-5-methyl-1-(3-methylphenyl)triazole-4-carboxamide is sourced from PubChem (CID 55894881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).