N-[1-[(4-methylphenyl)methyl]-2-oxo-3-pyridinyl]pyrazine-2-carboxamide

C18H16N4O2 — CID 71910292

IUPACN-[1-[(4-methylphenyl)methyl]-2-oxo-3-pyridinyl]pyrazine-2-carboxamide
SMILESCc1ccc(Cn2cccc(NC(=O)c3cnccn3)c2=O)cc1
InChIInChI=1S/C18H16N4O2/c1-13-4-6-14(7-5-13)12-22-10-2-3-15(18(22)24)21-17(23)16-11-19-8-9-20-16/h2-11H,12H2,1H3,(H,21,23)
InChIKeyJGBYJHYHZXSOST-UHFFFAOYSA-N
MW320.35 g/mol
LogP2.25
Rot. Bonds4

About N-[1-[(4-methylphenyl)methyl]-2-oxo-3-pyridinyl]pyrazine-2-carboxamide

N-[1-[(4-methylphenyl)methyl]-2-oxo-3-pyridinyl]pyrazine-2-carboxamide (PubChem CID 71910292) has the molecular formula C18H16N4O2 and a molecular weight of 320.35 g/mol. Its IUPAC name is N-[1-[(4-methylphenyl)methyl]-2-oxo-3-pyridinyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[1-[(4-methylphenyl)methyl]-2-oxo-3-pyridinyl]pyrazine-2-carboxamide
PubChem CID71910292
Molecular FormulaC18H16N4O2
Molecular Weight320.35 g/mol
Exact Mass320.13
IUPAC NameN-[1-[(4-methylphenyl)methyl]-2-oxo-3-pyridinyl]pyrazine-2-carboxamide
SMILESCc1ccc(Cn2cccc(NC(=O)c3cnccn3)c2=O)cc1
InChIInChI=1S/C18H16N4O2/c1-13-4-6-14(7-5-13)12-22-10-2-3-15(18(22)24)21-17(23)16-11-19-8-9-20-16/h2-11H,12H2,1H3,(H,21,23)
InChIKeyJGBYJHYHZXSOST-UHFFFAOYSA-N
XLogP2.25
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-methylphenyl)methyl]-2-oxo-3-pyridinyl]pyrazine-2-carboxamide?
The IUPAC name of N-[1-[(4-methylphenyl)methyl]-2-oxo-3-pyridinyl]pyrazine-2-carboxamide (CID 71910292) is N-[1-[(4-methylphenyl)methyl]-2-oxo-3-pyridinyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[1-[(4-methylphenyl)methyl]-2-oxo-3-pyridinyl]pyrazine-2-carboxamide?
The canonical SMILES for N-[1-[(4-methylphenyl)methyl]-2-oxo-3-pyridinyl]pyrazine-2-carboxamide is Cc1ccc(Cn2cccc(NC(=O)c3cnccn3)c2=O)cc1.
What is the InChIKey of N-[1-[(4-methylphenyl)methyl]-2-oxo-3-pyridinyl]pyrazine-2-carboxamide?
The InChIKey is JGBYJHYHZXSOST-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O2/c1-13-4-6-14(7-5-13)12-22-10-2-3-15(18(22)24)21-17(23)16-11-19-8-9-20-16/h2-11H,12H2,1H3,(H,21,23).
What are the key properties of N-[1-[(4-methylphenyl)methyl]-2-oxo-3-pyridinyl]pyrazine-2-carboxamide?
N-[1-[(4-methylphenyl)methyl]-2-oxo-3-pyridinyl]pyrazine-2-carboxamide has a molecular weight of 320.35 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-methylphenyl)methyl]-2-oxo-3-pyridinyl]pyrazine-2-carboxamide is sourced from PubChem (CID 71910292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).