3-[5-[4-(hydroxymethyl)-3-methylphenyl]-2H-triazol-4-yl]-N-(pyridin-4-ylmethyl)-1H-1,2,4-triazole-5-carboxamide

C19H18N8O2 — CID 142183462

IUPAC3-[5-[4-(hydroxymethyl)-3-methylphenyl]-2H-triazol-4-yl]-N-(pyridin-4-ylmethyl)-1H-1,2,4-triazole-5-carboxamide
SMILESCc1cc(-c2n[nH]nc2-c2n[nH]c(C(=O)NCc3ccncc3)n2)ccc1CO
InChIInChI=1S/C19H18N8O2/c1-11-8-13(2-3-14(11)10-28)15-16(24-27-23-15)17-22-18(26-25-17)19(29)21-9-12-4-6-20-7-5-12/h2-8,28H,9-10H2,1H3,(H,21,29)(H,22,25,26)(H,23,24,27)
InChIKeyOEAKKJPNAJKWHZ-UHFFFAOYSA-N
MW390.41 g/mol
LogP1.38
Rot. Bonds6

About 3-[5-[4-(hydroxymethyl)-3-methylphenyl]-2H-triazol-4-yl]-N-(pyridin-4-ylmethyl)-1H-1,2,4-triazole-5-carboxamide

3-[5-[4-(hydroxymethyl)-3-methylphenyl]-2H-triazol-4-yl]-N-(pyridin-4-ylmethyl)-1H-1,2,4-triazole-5-carboxamide (PubChem CID 142183462) has the molecular formula C19H18N8O2 and a molecular weight of 390.41 g/mol. Its IUPAC name is 3-[5-[4-(hydroxymethyl)-3-methylphenyl]-2H-triazol-4-yl]-N-(pyridin-4-ylmethyl)-1H-1,2,4-triazole-5-carboxamide.

Molecular Properties

Compound Name3-[5-[4-(hydroxymethyl)-3-methylphenyl]-2H-triazol-4-yl]-N-(pyridin-4-ylmethyl)-1H-1,2,4-triazole-5-carboxamide
PubChem CID142183462
Molecular FormulaC19H18N8O2
Molecular Weight390.41 g/mol
Exact Mass390.16
IUPAC Name3-[5-[4-(hydroxymethyl)-3-methylphenyl]-2H-triazol-4-yl]-N-(pyridin-4-ylmethyl)-1H-1,2,4-triazole-5-carboxamide
SMILESCc1cc(-c2n[nH]nc2-c2n[nH]c(C(=O)NCc3ccncc3)n2)ccc1CO
InChIInChI=1S/C19H18N8O2/c1-11-8-13(2-3-14(11)10-28)15-16(24-27-23-15)17-22-18(26-25-17)19(29)21-9-12-4-6-20-7-5-12/h2-8,28H,9-10H2,1H3,(H,21,29)(H,22,25,26)(H,23,24,27)
InChIKeyOEAKKJPNAJKWHZ-UHFFFAOYSA-N
XLogP1.38
TPSA145.36 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.41
LogP ≤ 51.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 3-[5-[4-(hydroxymethyl)-3-methylphenyl]-2H-triazol-4-yl]-N-(pyridin-4-ylmethyl)-1H-1,2,4-triazole-5-carboxamide with MolForge

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Related Compounds

(2-methyl-4-pyridin-4-ylphenyl)methanol
CID 146405714
5-(4-methylphenyl)-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 136514307
6-(4-methylphenyl)-2-oxo-N-(pyridin-4-ylmethyl)-1H-pyridine-3-carboxamide
CID 66497649
4-bromo-3-methyl-N-(pyridin-4-ylmethyl)benzamide
CID 113338678
2-(4-methylphenyl)-N-(pyridin-4-ylmethyl)-1,3-thiazole-4-carboxamide
CID 17401006
3-fluoro-5-[5-methyl-2-(pyridin-4-ylmethylcarbamoyl)-1H-imidazol-4-yl]-1H-indole-2-carboperoxoic acid
CID 163860785
3-phenyl-N-[[4-(1,2,2,2-tetrafluoroethyl)phenyl]methyl]-1H-1,2,4-triazole-5-carboxamide
CID 167958519
4-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-N-(pyridin-4-ylmethyl)benzamide
CID 46109252
2-N-[(4-methylphenyl)methyl]-6-N-(pyridin-4-ylmethyl)pyridine-2,6-dicarboxamide
CID 109097501
1-(2,5-dimethylphenyl)-3-(4-methoxyphenyl)-N-(pyridin-4-ylmethyl)pyrazole-5-carboxamide
CID 42755424
3-methoxy-4-methyl-N-(pyridin-4-ylmethyl)benzamide
CID 23530638
2-methyl-N-(pyridin-4-ylmethyl)-3H-benzimidazole-5-carboxamide
CID 110692469

Frequently Asked Questions

What is the IUPAC name of 3-[5-[4-(hydroxymethyl)-3-methylphenyl]-2H-triazol-4-yl]-N-(pyridin-4-ylmethyl)-1H-1,2,4-triazole-5-carboxamide?
The IUPAC name of 3-[5-[4-(hydroxymethyl)-3-methylphenyl]-2H-triazol-4-yl]-N-(pyridin-4-ylmethyl)-1H-1,2,4-triazole-5-carboxamide (CID 142183462) is 3-[5-[4-(hydroxymethyl)-3-methylphenyl]-2H-triazol-4-yl]-N-(pyridin-4-ylmethyl)-1H-1,2,4-triazole-5-carboxamide.
What is the SMILES notation for 3-[5-[4-(hydroxymethyl)-3-methylphenyl]-2H-triazol-4-yl]-N-(pyridin-4-ylmethyl)-1H-1,2,4-triazole-5-carboxamide?
The canonical SMILES for 3-[5-[4-(hydroxymethyl)-3-methylphenyl]-2H-triazol-4-yl]-N-(pyridin-4-ylmethyl)-1H-1,2,4-triazole-5-carboxamide is Cc1cc(-c2n[nH]nc2-c2n[nH]c(C(=O)NCc3ccncc3)n2)ccc1CO.
What is the InChIKey of 3-[5-[4-(hydroxymethyl)-3-methylphenyl]-2H-triazol-4-yl]-N-(pyridin-4-ylmethyl)-1H-1,2,4-triazole-5-carboxamide?
The InChIKey is OEAKKJPNAJKWHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N8O2/c1-11-8-13(2-3-14(11)10-28)15-16(24-27-23-15)17-22-18(26-25-17)19(29)21-9-12-4-6-20-7-5-12/h2-8,28H,9-10H2,1H3,(H,21,29)(H,22,25,26)(H,23,24,27).
What are the key properties of 3-[5-[4-(hydroxymethyl)-3-methylphenyl]-2H-triazol-4-yl]-N-(pyridin-4-ylmethyl)-1H-1,2,4-triazole-5-carboxamide?
3-[5-[4-(hydroxymethyl)-3-methylphenyl]-2H-triazol-4-yl]-N-(pyridin-4-ylmethyl)-1H-1,2,4-triazole-5-carboxamide has a molecular weight of 390.41 g/mol, XLogP of 1.38, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[4-(hydroxymethyl)-3-methylphenyl]-2H-triazol-4-yl]-N-(pyridin-4-ylmethyl)-1H-1,2,4-triazole-5-carboxamide is sourced from PubChem (CID 142183462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).