4-methyl-2-(4-methylphenyl)-N-(6-methyl-2-pyridinyl)-3,5-dioxo-1,2,4-triazine-6-carboxamide

C18H17N5O3 — CID 22578626

IUPAC4-methyl-2-(4-methylphenyl)-N-(6-methyl-2-pyridinyl)-3,5-dioxo-1,2,4-triazine-6-carboxamide
SMILESCc1ccc(-n2nc(C(=O)Nc3cccc(C)n3)c(=O)n(C)c2=O)cc1
InChIInChI=1S/C18H17N5O3/c1-11-7-9-13(10-8-11)23-18(26)22(3)17(25)15(21-23)16(24)20-14-6-4-5-12(2)19-14/h4-10H,1-3H3,(H,19,20,24)
InChIKeyYBAKRSDCJFCHGV-UHFFFAOYSA-N
MW351.37 g/mol
LogP1.20
Rot. Bonds3

About 4-methyl-2-(4-methylphenyl)-N-(6-methyl-2-pyridinyl)-3,5-dioxo-1,2,4-triazine-6-carboxamide

4-methyl-2-(4-methylphenyl)-N-(6-methyl-2-pyridinyl)-3,5-dioxo-1,2,4-triazine-6-carboxamide (PubChem CID 22578626) has the molecular formula C18H17N5O3 and a molecular weight of 351.37 g/mol. Its IUPAC name is 4-methyl-2-(4-methylphenyl)-N-(6-methyl-2-pyridinyl)-3,5-dioxo-1,2,4-triazine-6-carboxamide.

Molecular Properties

Compound Name4-methyl-2-(4-methylphenyl)-N-(6-methyl-2-pyridinyl)-3,5-dioxo-1,2,4-triazine-6-carboxamide
PubChem CID22578626
Molecular FormulaC18H17N5O3
Molecular Weight351.37 g/mol
Exact Mass351.13
IUPAC Name4-methyl-2-(4-methylphenyl)-N-(6-methyl-2-pyridinyl)-3,5-dioxo-1,2,4-triazine-6-carboxamide
SMILESCc1ccc(-n2nc(C(=O)Nc3cccc(C)n3)c(=O)n(C)c2=O)cc1
InChIInChI=1S/C18H17N5O3/c1-11-7-9-13(10-8-11)23-18(26)22(3)17(25)15(21-23)16(24)20-14-6-4-5-12(2)19-14/h4-10H,1-3H3,(H,19,20,24)
InChIKeyYBAKRSDCJFCHGV-UHFFFAOYSA-N
XLogP1.20
TPSA98.88 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.37
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(4-methylphenyl)-N-(6-methyl-2-pyridinyl)-3,5-dioxo-1,2,4-triazine-6-carboxamide?
The IUPAC name of 4-methyl-2-(4-methylphenyl)-N-(6-methyl-2-pyridinyl)-3,5-dioxo-1,2,4-triazine-6-carboxamide (CID 22578626) is 4-methyl-2-(4-methylphenyl)-N-(6-methyl-2-pyridinyl)-3,5-dioxo-1,2,4-triazine-6-carboxamide.
What is the SMILES notation for 4-methyl-2-(4-methylphenyl)-N-(6-methyl-2-pyridinyl)-3,5-dioxo-1,2,4-triazine-6-carboxamide?
The canonical SMILES for 4-methyl-2-(4-methylphenyl)-N-(6-methyl-2-pyridinyl)-3,5-dioxo-1,2,4-triazine-6-carboxamide is Cc1ccc(-n2nc(C(=O)Nc3cccc(C)n3)c(=O)n(C)c2=O)cc1.
What is the InChIKey of 4-methyl-2-(4-methylphenyl)-N-(6-methyl-2-pyridinyl)-3,5-dioxo-1,2,4-triazine-6-carboxamide?
The InChIKey is YBAKRSDCJFCHGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O3/c1-11-7-9-13(10-8-11)23-18(26)22(3)17(25)15(21-23)16(24)20-14-6-4-5-12(2)19-14/h4-10H,1-3H3,(H,19,20,24).
What are the key properties of 4-methyl-2-(4-methylphenyl)-N-(6-methyl-2-pyridinyl)-3,5-dioxo-1,2,4-triazine-6-carboxamide?
4-methyl-2-(4-methylphenyl)-N-(6-methyl-2-pyridinyl)-3,5-dioxo-1,2,4-triazine-6-carboxamide has a molecular weight of 351.37 g/mol, XLogP of 1.20, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(4-methylphenyl)-N-(6-methyl-2-pyridinyl)-3,5-dioxo-1,2,4-triazine-6-carboxamide is sourced from PubChem (CID 22578626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).