5-methyl-N-(2-methyl-6-oxo-1H-pyrimidin-4-yl)-1-pyridin-2-ylpyrazole-4-carboxamide

C15H14N6O2 — CID 136834839

IUPAC5-methyl-N-(2-methyl-6-oxo-1H-pyrimidin-4-yl)-1-pyridin-2-ylpyrazole-4-carboxamide
SMILESCc1nc(NC(=O)c2cnn(-c3ccccn3)c2C)cc(=O)[nH]1
InChIInChI=1S/C15H14N6O2/c1-9-11(8-17-21(9)13-5-3-4-6-16-13)15(23)20-12-7-14(22)19-10(2)18-12/h3-8H,1-2H3,(H2,18,19,20,22,23)
InChIKeyJQOGJZIIZAFHHD-UHFFFAOYSA-N
MW310.32 g/mol
LogP1.22
Rot. Bonds3

About 5-methyl-N-(2-methyl-6-oxo-1H-pyrimidin-4-yl)-1-pyridin-2-ylpyrazole-4-carboxamide

5-methyl-N-(2-methyl-6-oxo-1H-pyrimidin-4-yl)-1-pyridin-2-ylpyrazole-4-carboxamide (PubChem CID 136834839) has the molecular formula C15H14N6O2 and a molecular weight of 310.32 g/mol. Its IUPAC name is 5-methyl-N-(2-methyl-6-oxo-1H-pyrimidin-4-yl)-1-pyridin-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-N-(2-methyl-6-oxo-1H-pyrimidin-4-yl)-1-pyridin-2-ylpyrazole-4-carboxamide
PubChem CID136834839
Molecular FormulaC15H14N6O2
Molecular Weight310.32 g/mol
Exact Mass310.12
IUPAC Name5-methyl-N-(2-methyl-6-oxo-1H-pyrimidin-4-yl)-1-pyridin-2-ylpyrazole-4-carboxamide
SMILESCc1nc(NC(=O)c2cnn(-c3ccccn3)c2C)cc(=O)[nH]1
InChIInChI=1S/C15H14N6O2/c1-9-11(8-17-21(9)13-5-3-4-6-16-13)15(23)20-12-7-14(22)19-10(2)18-12/h3-8H,1-2H3,(H2,18,19,20,22,23)
InChIKeyJQOGJZIIZAFHHD-UHFFFAOYSA-N
XLogP1.22
TPSA105.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.32
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(2-methyl-6-oxo-1H-pyrimidin-4-yl)-1-pyridin-2-ylpyrazole-4-carboxamide?
The IUPAC name of 5-methyl-N-(2-methyl-6-oxo-1H-pyrimidin-4-yl)-1-pyridin-2-ylpyrazole-4-carboxamide (CID 136834839) is 5-methyl-N-(2-methyl-6-oxo-1H-pyrimidin-4-yl)-1-pyridin-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for 5-methyl-N-(2-methyl-6-oxo-1H-pyrimidin-4-yl)-1-pyridin-2-ylpyrazole-4-carboxamide?
The canonical SMILES for 5-methyl-N-(2-methyl-6-oxo-1H-pyrimidin-4-yl)-1-pyridin-2-ylpyrazole-4-carboxamide is Cc1nc(NC(=O)c2cnn(-c3ccccn3)c2C)cc(=O)[nH]1.
What is the InChIKey of 5-methyl-N-(2-methyl-6-oxo-1H-pyrimidin-4-yl)-1-pyridin-2-ylpyrazole-4-carboxamide?
The InChIKey is JQOGJZIIZAFHHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N6O2/c1-9-11(8-17-21(9)13-5-3-4-6-16-13)15(23)20-12-7-14(22)19-10(2)18-12/h3-8H,1-2H3,(H2,18,19,20,22,23).
What are the key properties of 5-methyl-N-(2-methyl-6-oxo-1H-pyrimidin-4-yl)-1-pyridin-2-ylpyrazole-4-carboxamide?
5-methyl-N-(2-methyl-6-oxo-1H-pyrimidin-4-yl)-1-pyridin-2-ylpyrazole-4-carboxamide has a molecular weight of 310.32 g/mol, XLogP of 1.22, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(2-methyl-6-oxo-1H-pyrimidin-4-yl)-1-pyridin-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 136834839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).