N-[5-(3,5-dimethylphenyl)-1H-pyrazol-3-yl]-4-methyl-6-oxo-1H-pyridine-3-carboxamide

C18H18N4O2 — CID 75379837

IUPACN-[5-(3,5-dimethylphenyl)-1H-pyrazol-3-yl]-4-methyl-6-oxo-1H-pyridine-3-carboxamide
SMILESCc1cc(C)cc(-c2cc(NC(=O)c3c[nH]c(=O)cc3C)n[nH]2)c1
InChIInChI=1S/C18H18N4O2/c1-10-4-11(2)6-13(5-10)15-8-16(22-21-15)20-18(24)14-9-19-17(23)7-12(14)3/h4-9H,1-3H3,(H,19,23)(H2,20,21,22,24)
InChIKeyZKUMBCIOHHIVOD-UHFFFAOYSA-N
MW322.37 g/mol
LogP2.94
Rot. Bonds3

About N-[5-(3,5-dimethylphenyl)-1H-pyrazol-3-yl]-4-methyl-6-oxo-1H-pyridine-3-carboxamide

N-[5-(3,5-dimethylphenyl)-1H-pyrazol-3-yl]-4-methyl-6-oxo-1H-pyridine-3-carboxamide (PubChem CID 75379837) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is N-[5-(3,5-dimethylphenyl)-1H-pyrazol-3-yl]-4-methyl-6-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[5-(3,5-dimethylphenyl)-1H-pyrazol-3-yl]-4-methyl-6-oxo-1H-pyridine-3-carboxamide
PubChem CID75379837
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC NameN-[5-(3,5-dimethylphenyl)-1H-pyrazol-3-yl]-4-methyl-6-oxo-1H-pyridine-3-carboxamide
SMILESCc1cc(C)cc(-c2cc(NC(=O)c3c[nH]c(=O)cc3C)n[nH]2)c1
InChIInChI=1S/C18H18N4O2/c1-10-4-11(2)6-13(5-10)15-8-16(22-21-15)20-18(24)14-9-19-17(23)7-12(14)3/h4-9H,1-3H3,(H,19,23)(H2,20,21,22,24)
InChIKeyZKUMBCIOHHIVOD-UHFFFAOYSA-N
XLogP2.94
TPSA90.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 52.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[5-(3,5-dimethylphenyl)-1H-pyrazol-3-yl]-4-methyl-6-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[5-(3,5-dimethylphenyl)-1H-pyrazol-3-yl]-4-methyl-6-oxo-1H-pyridine-3-carboxamide (CID 75379837) is N-[5-(3,5-dimethylphenyl)-1H-pyrazol-3-yl]-4-methyl-6-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[5-(3,5-dimethylphenyl)-1H-pyrazol-3-yl]-4-methyl-6-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[5-(3,5-dimethylphenyl)-1H-pyrazol-3-yl]-4-methyl-6-oxo-1H-pyridine-3-carboxamide is Cc1cc(C)cc(-c2cc(NC(=O)c3c[nH]c(=O)cc3C)n[nH]2)c1.
What is the InChIKey of N-[5-(3,5-dimethylphenyl)-1H-pyrazol-3-yl]-4-methyl-6-oxo-1H-pyridine-3-carboxamide?
The InChIKey is ZKUMBCIOHHIVOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2/c1-10-4-11(2)6-13(5-10)15-8-16(22-21-15)20-18(24)14-9-19-17(23)7-12(14)3/h4-9H,1-3H3,(H,19,23)(H2,20,21,22,24).
What are the key properties of N-[5-(3,5-dimethylphenyl)-1H-pyrazol-3-yl]-4-methyl-6-oxo-1H-pyridine-3-carboxamide?
N-[5-(3,5-dimethylphenyl)-1H-pyrazol-3-yl]-4-methyl-6-oxo-1H-pyridine-3-carboxamide has a molecular weight of 322.37 g/mol, XLogP of 2.94, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3,5-dimethylphenyl)-1H-pyrazol-3-yl]-4-methyl-6-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 75379837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).