5-(3-methylphenyl)-N-(pyridin-3-ylmethyl)-2H-triazole-4-carboxamide

C16H15N5O — CID 175651298

IUPAC5-(3-methylphenyl)-N-(pyridin-3-ylmethyl)-2H-triazole-4-carboxamide
SMILESCc1cccc(-c2n[nH]nc2C(=O)NCc2cccnc2)c1
InChIInChI=1S/C16H15N5O/c1-11-4-2-6-13(8-11)14-15(20-21-19-14)16(22)18-10-12-5-3-7-17-9-12/h2-9H,10H2,1H3,(H,18,22)(H,19,20,21)
InChIKeyWXXROZMYHZMLEP-UHFFFAOYSA-N
MW293.33 g/mol
LogP2.11
Rot. Bonds4

About 5-(3-methylphenyl)-N-(pyridin-3-ylmethyl)-2H-triazole-4-carboxamide

5-(3-methylphenyl)-N-(pyridin-3-ylmethyl)-2H-triazole-4-carboxamide (PubChem CID 175651298) has the molecular formula C16H15N5O and a molecular weight of 293.33 g/mol. Its IUPAC name is 5-(3-methylphenyl)-N-(pyridin-3-ylmethyl)-2H-triazole-4-carboxamide.

Molecular Properties

Compound Name5-(3-methylphenyl)-N-(pyridin-3-ylmethyl)-2H-triazole-4-carboxamide
PubChem CID175651298
Molecular FormulaC16H15N5O
Molecular Weight293.33 g/mol
Exact Mass293.13
IUPAC Name5-(3-methylphenyl)-N-(pyridin-3-ylmethyl)-2H-triazole-4-carboxamide
SMILESCc1cccc(-c2n[nH]nc2C(=O)NCc2cccnc2)c1
InChIInChI=1S/C16H15N5O/c1-11-4-2-6-13(8-11)14-15(20-21-19-14)16(22)18-10-12-5-3-7-17-9-12/h2-9H,10H2,1H3,(H,18,22)(H,19,20,21)
InChIKeyWXXROZMYHZMLEP-UHFFFAOYSA-N
XLogP2.11
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-N-(pyridin-3-ylmethyl)-2H-triazole-4-carboxamide
CID 110691661
N'-[(3-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)oxamide
CID 108984681
5-[(3-methylphenyl)methylamino]-N-(pyridin-3-ylmethyl)pyrazine-2-carboxamide
CID 109280368
3-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-(pyridin-3-ylmethyl)propanamide
CID 24538457
1-N-[(4-methylphenyl)methyl]-3-N-(pyridin-3-ylmethyl)benzene-1,3-dicarboxamide
CID 109054359
4-N-[(3-methylphenyl)methyl]-2-N-(pyridin-3-ylmethyl)pyridine-2,4-dicarboxamide
CID 109085686
2-fluoro-5-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 62509197
5-methyl-2-phenyl-N-(pyridin-3-ylmethyl)-1,3-oxazole-4-carboxamide
CID 17441319
5-(3-fluorophenyl)-2-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide
CID 71709188
2-(3-methylphenoxy)-N-(pyridin-3-ylmethyl)propanamide
CID 21366996
3,6-dimethyl-N-(pyridin-3-ylmethyl)-1H-indole-2-carboxamide
CID 113204984
2-(3-acetylphenyl)-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide
CID 117089751

Frequently Asked Questions

What is the IUPAC name of 5-(3-methylphenyl)-N-(pyridin-3-ylmethyl)-2H-triazole-4-carboxamide?
The IUPAC name of 5-(3-methylphenyl)-N-(pyridin-3-ylmethyl)-2H-triazole-4-carboxamide (CID 175651298) is 5-(3-methylphenyl)-N-(pyridin-3-ylmethyl)-2H-triazole-4-carboxamide.
What is the SMILES notation for 5-(3-methylphenyl)-N-(pyridin-3-ylmethyl)-2H-triazole-4-carboxamide?
The canonical SMILES for 5-(3-methylphenyl)-N-(pyridin-3-ylmethyl)-2H-triazole-4-carboxamide is Cc1cccc(-c2n[nH]nc2C(=O)NCc2cccnc2)c1.
What is the InChIKey of 5-(3-methylphenyl)-N-(pyridin-3-ylmethyl)-2H-triazole-4-carboxamide?
The InChIKey is WXXROZMYHZMLEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O/c1-11-4-2-6-13(8-11)14-15(20-21-19-14)16(22)18-10-12-5-3-7-17-9-12/h2-9H,10H2,1H3,(H,18,22)(H,19,20,21).
What are the key properties of 5-(3-methylphenyl)-N-(pyridin-3-ylmethyl)-2H-triazole-4-carboxamide?
5-(3-methylphenyl)-N-(pyridin-3-ylmethyl)-2H-triazole-4-carboxamide has a molecular weight of 293.33 g/mol, XLogP of 2.11, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methylphenyl)-N-(pyridin-3-ylmethyl)-2H-triazole-4-carboxamide is sourced from PubChem (CID 175651298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).