1-(4-chlorophenyl)-5-methyl-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-1,2,4-triazole-3-carboxamide

C22H25ClN6O — CID 78881980

IUPAC1-(4-chlorophenyl)-5-methyl-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-1,2,4-triazole-3-carboxamide
SMILESCc1nc(C(=O)NCc2ccc(N3CCC(C)CC3)nc2)nn1-c1ccc(Cl)cc1
InChIInChI=1S/C22H25ClN6O/c1-15-9-11-28(12-10-15)20-8-3-17(13-24-20)14-25-22(30)21-26-16(2)29(27-21)19-6-4-18(23)5-7-19/h3-8,13,15H,9-12,14H2,1-2H3,(H,25,30)
InChIKeyDSTLSJHFRAGMFV-UHFFFAOYSA-N
MW424.94 g/mol
LogP3.79
Rot. Bonds5

About 1-(4-chlorophenyl)-5-methyl-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-1,2,4-triazole-3-carboxamide

1-(4-chlorophenyl)-5-methyl-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-1,2,4-triazole-3-carboxamide (PubChem CID 78881980) has the molecular formula C22H25ClN6O and a molecular weight of 424.94 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-5-methyl-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-5-methyl-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-1,2,4-triazole-3-carboxamide
PubChem CID78881980
Molecular FormulaC22H25ClN6O
Molecular Weight424.94 g/mol
Exact Mass424.18
IUPAC Name1-(4-chlorophenyl)-5-methyl-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-1,2,4-triazole-3-carboxamide
SMILESCc1nc(C(=O)NCc2ccc(N3CCC(C)CC3)nc2)nn1-c1ccc(Cl)cc1
InChIInChI=1S/C22H25ClN6O/c1-15-9-11-28(12-10-15)20-8-3-17(13-24-20)14-25-22(30)21-26-16(2)29(27-21)19-6-4-18(23)5-7-19/h3-8,13,15H,9-12,14H2,1-2H3,(H,25,30)
InChIKeyDSTLSJHFRAGMFV-UHFFFAOYSA-N
XLogP3.79
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.94
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(4-chlorophenyl)-5-methyl-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-1,2,4-triazole-3-carboxamide with MolForge

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Related Compounds

1-(4-chlorophenyl)-N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-5-methyl-1,2,4-triazole-3-carboxamide
CID 78879226
1-(4-chlorophenyl)-5-methyl-N-[(4-thiomorpholin-4-ylphenyl)methyl]-1,2,4-triazole-3-carboxamide
CID 78902164
1-(4-chlorophenyl)-5-methyl-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]-1,2,4-triazole-3-carboxamide
CID 78881949
1-(4-chlorophenyl)-5-methyl-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-1,2,4-triazole-3-carboxamide
CID 78880112
1-(4-chlorophenyl)-5-methyl-N-(pyridin-3-ylmethyl)-1,2,4-triazole-3-carboxamide
CID 24538480
1-[(4-chlorophenyl)methyl]-2-methyl-3-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]guanidine;hydroiodide
CID 111131703
1-(4-hydroxy-2,2-dimethylbutyl)-3-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]urea
CID 111504532
1-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-3-(2-phenylethyl)urea
CID 55739819
4-(dimethylamino)-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]benzamide
CID 55846067
1-ethyl-1-(2-hydroxyethyl)-3-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]urea
CID 110896030
1-(4-chlorophenyl)-5-methyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1,2,4-triazole-3-carboxamide
CID 24548447
N-[(4-chlorophenyl)methyl]-1-(5-chloro-2-pyridinyl)piperidine-4-carboxamide
CID 39705993

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-5-methyl-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-1,2,4-triazole-3-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-5-methyl-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-1,2,4-triazole-3-carboxamide (CID 78881980) is 1-(4-chlorophenyl)-5-methyl-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-5-methyl-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-1,2,4-triazole-3-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-5-methyl-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-1,2,4-triazole-3-carboxamide is Cc1nc(C(=O)NCc2ccc(N3CCC(C)CC3)nc2)nn1-c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-5-methyl-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-1,2,4-triazole-3-carboxamide?
The InChIKey is DSTLSJHFRAGMFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN6O/c1-15-9-11-28(12-10-15)20-8-3-17(13-24-20)14-25-22(30)21-26-16(2)29(27-21)19-6-4-18(23)5-7-19/h3-8,13,15H,9-12,14H2,1-2H3,(H,25,30).
What are the key properties of 1-(4-chlorophenyl)-5-methyl-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-1,2,4-triazole-3-carboxamide?
1-(4-chlorophenyl)-5-methyl-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-1,2,4-triazole-3-carboxamide has a molecular weight of 424.94 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-5-methyl-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 78881980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).