1-methyl-N-[1-methyl-3-(2-methylphenyl)pyrazol-5-yl]-6-oxopyridine-3-carboxamide

C18H18N4O2 — CID 95935310

IUPAC1-methyl-N-[1-methyl-3-(2-methylphenyl)pyrazol-5-yl]-6-oxopyridine-3-carboxamide
SMILESCc1ccccc1-c1cc(NC(=O)c2ccc(=O)n(C)c2)n(C)n1
InChIInChI=1S/C18H18N4O2/c1-12-6-4-5-7-14(12)15-10-16(22(3)20-15)19-18(24)13-8-9-17(23)21(2)11-13/h4-11H,1-3H3,(H,19,24)
InChIKeyRJJZRGOJIILVOL-UHFFFAOYSA-N
MW322.37 g/mol
LogP2.35
Rot. Bonds3

About 1-methyl-N-[1-methyl-3-(2-methylphenyl)pyrazol-5-yl]-6-oxopyridine-3-carboxamide

1-methyl-N-[1-methyl-3-(2-methylphenyl)pyrazol-5-yl]-6-oxopyridine-3-carboxamide (PubChem CID 95935310) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is 1-methyl-N-[1-methyl-3-(2-methylphenyl)pyrazol-5-yl]-6-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[1-methyl-3-(2-methylphenyl)pyrazol-5-yl]-6-oxopyridine-3-carboxamide
PubChem CID95935310
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC Name1-methyl-N-[1-methyl-3-(2-methylphenyl)pyrazol-5-yl]-6-oxopyridine-3-carboxamide
SMILESCc1ccccc1-c1cc(NC(=O)c2ccc(=O)n(C)c2)n(C)n1
InChIInChI=1S/C18H18N4O2/c1-12-6-4-5-7-14(12)15-10-16(22(3)20-15)19-18(24)13-8-9-17(23)21(2)11-13/h4-11H,1-3H3,(H,19,24)
InChIKeyRJJZRGOJIILVOL-UHFFFAOYSA-N
XLogP2.35
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[1-methyl-3-(2-methylphenyl)pyrazol-5-yl]-6-oxopyridine-3-carboxamide?
The IUPAC name of 1-methyl-N-[1-methyl-3-(2-methylphenyl)pyrazol-5-yl]-6-oxopyridine-3-carboxamide (CID 95935310) is 1-methyl-N-[1-methyl-3-(2-methylphenyl)pyrazol-5-yl]-6-oxopyridine-3-carboxamide.
What is the SMILES notation for 1-methyl-N-[1-methyl-3-(2-methylphenyl)pyrazol-5-yl]-6-oxopyridine-3-carboxamide?
The canonical SMILES for 1-methyl-N-[1-methyl-3-(2-methylphenyl)pyrazol-5-yl]-6-oxopyridine-3-carboxamide is Cc1ccccc1-c1cc(NC(=O)c2ccc(=O)n(C)c2)n(C)n1.
What is the InChIKey of 1-methyl-N-[1-methyl-3-(2-methylphenyl)pyrazol-5-yl]-6-oxopyridine-3-carboxamide?
The InChIKey is RJJZRGOJIILVOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2/c1-12-6-4-5-7-14(12)15-10-16(22(3)20-15)19-18(24)13-8-9-17(23)21(2)11-13/h4-11H,1-3H3,(H,19,24).
What are the key properties of 1-methyl-N-[1-methyl-3-(2-methylphenyl)pyrazol-5-yl]-6-oxopyridine-3-carboxamide?
1-methyl-N-[1-methyl-3-(2-methylphenyl)pyrazol-5-yl]-6-oxopyridine-3-carboxamide has a molecular weight of 322.37 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[1-methyl-3-(2-methylphenyl)pyrazol-5-yl]-6-oxopyridine-3-carboxamide is sourced from PubChem (CID 95935310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).