5-methyl-1-(2-methylphenyl)-N-(1,8-naphthyridin-2-yl)triazole-4-carboxamide

C19H16N6O — CID 166156402

IUPAC5-methyl-1-(2-methylphenyl)-N-(1,8-naphthyridin-2-yl)triazole-4-carboxamide
SMILESCc1ccccc1-n1nnc(C(=O)Nc2ccc3cccnc3n2)c1C
InChIInChI=1S/C19H16N6O/c1-12-6-3-4-8-15(12)25-13(2)17(23-24-25)19(26)22-16-10-9-14-7-5-11-20-18(14)21-16/h3-11H,1-2H3,(H,20,21,22,26)
InChIKeyFTWODCGLORVUMP-UHFFFAOYSA-N
MW344.38 g/mol
LogP3.08
Rot. Bonds3

About 5-methyl-1-(2-methylphenyl)-N-(1,8-naphthyridin-2-yl)triazole-4-carboxamide

5-methyl-1-(2-methylphenyl)-N-(1,8-naphthyridin-2-yl)triazole-4-carboxamide (PubChem CID 166156402) has the molecular formula C19H16N6O and a molecular weight of 344.38 g/mol. Its IUPAC name is 5-methyl-1-(2-methylphenyl)-N-(1,8-naphthyridin-2-yl)triazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-1-(2-methylphenyl)-N-(1,8-naphthyridin-2-yl)triazole-4-carboxamide
PubChem CID166156402
Molecular FormulaC19H16N6O
Molecular Weight344.38 g/mol
Exact Mass344.14
IUPAC Name5-methyl-1-(2-methylphenyl)-N-(1,8-naphthyridin-2-yl)triazole-4-carboxamide
SMILESCc1ccccc1-n1nnc(C(=O)Nc2ccc3cccnc3n2)c1C
InChIInChI=1S/C19H16N6O/c1-12-6-3-4-8-15(12)25-13(2)17(23-24-25)19(26)22-16-10-9-14-7-5-11-20-18(14)21-16/h3-11H,1-2H3,(H,20,21,22,26)
InChIKeyFTWODCGLORVUMP-UHFFFAOYSA-N
XLogP3.08
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.38
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(2-methylphenyl)-N-(1,8-naphthyridin-2-yl)triazole-4-carboxamide?
The IUPAC name of 5-methyl-1-(2-methylphenyl)-N-(1,8-naphthyridin-2-yl)triazole-4-carboxamide (CID 166156402) is 5-methyl-1-(2-methylphenyl)-N-(1,8-naphthyridin-2-yl)triazole-4-carboxamide.
What is the SMILES notation for 5-methyl-1-(2-methylphenyl)-N-(1,8-naphthyridin-2-yl)triazole-4-carboxamide?
The canonical SMILES for 5-methyl-1-(2-methylphenyl)-N-(1,8-naphthyridin-2-yl)triazole-4-carboxamide is Cc1ccccc1-n1nnc(C(=O)Nc2ccc3cccnc3n2)c1C.
What is the InChIKey of 5-methyl-1-(2-methylphenyl)-N-(1,8-naphthyridin-2-yl)triazole-4-carboxamide?
The InChIKey is FTWODCGLORVUMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N6O/c1-12-6-3-4-8-15(12)25-13(2)17(23-24-25)19(26)22-16-10-9-14-7-5-11-20-18(14)21-16/h3-11H,1-2H3,(H,20,21,22,26).
What are the key properties of 5-methyl-1-(2-methylphenyl)-N-(1,8-naphthyridin-2-yl)triazole-4-carboxamide?
5-methyl-1-(2-methylphenyl)-N-(1,8-naphthyridin-2-yl)triazole-4-carboxamide has a molecular weight of 344.38 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(2-methylphenyl)-N-(1,8-naphthyridin-2-yl)triazole-4-carboxamide is sourced from PubChem (CID 166156402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).