N-[4-(3,4-dimethylphenyl)-3-oxopyrazin-2-yl]pyridine-2-carboxamide

C18H16N4O2 — CID 53118384

IUPACN-[4-(3,4-dimethylphenyl)-3-oxopyrazin-2-yl]pyridine-2-carboxamide
SMILESCc1ccc(-n2ccnc(NC(=O)c3ccccn3)c2=O)cc1C
InChIInChI=1S/C18H16N4O2/c1-12-6-7-14(11-13(12)2)22-10-9-20-16(18(22)24)21-17(23)15-5-3-4-8-19-15/h3-11H,1-2H3,(H,20,21,23)
InChIKeyATVWCTQFBGVUNC-UHFFFAOYSA-N
MW320.35 g/mol
LogP2.50
Rot. Bonds3

About N-[4-(3,4-dimethylphenyl)-3-oxopyrazin-2-yl]pyridine-2-carboxamide

N-[4-(3,4-dimethylphenyl)-3-oxopyrazin-2-yl]pyridine-2-carboxamide (PubChem CID 53118384) has the molecular formula C18H16N4O2 and a molecular weight of 320.35 g/mol. Its IUPAC name is N-[4-(3,4-dimethylphenyl)-3-oxopyrazin-2-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-(3,4-dimethylphenyl)-3-oxopyrazin-2-yl]pyridine-2-carboxamide
PubChem CID53118384
Molecular FormulaC18H16N4O2
Molecular Weight320.35 g/mol
Exact Mass320.13
IUPAC NameN-[4-(3,4-dimethylphenyl)-3-oxopyrazin-2-yl]pyridine-2-carboxamide
SMILESCc1ccc(-n2ccnc(NC(=O)c3ccccn3)c2=O)cc1C
InChIInChI=1S/C18H16N4O2/c1-12-6-7-14(11-13(12)2)22-10-9-20-16(18(22)24)21-17(23)15-5-3-4-8-19-15/h3-11H,1-2H3,(H,20,21,23)
InChIKeyATVWCTQFBGVUNC-UHFFFAOYSA-N
XLogP2.50
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(3-fluorophenyl)-3-oxopyrazin-2-yl]pyridine-2-carboxamide
CID 53118362
N-[4-(4-ethoxyphenyl)-3-oxopyrazin-2-yl]pyridine-2-carboxamide
CID 53118435
N'-[2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]pyridine-2-carbohydrazide
CID 18207204
3-[(2-chlorophenyl)methylamino]-1-(3,4-dimethylphenyl)pyrazin-2-one
CID 20941598
1-(3,4-dimethylphenyl)-3-[4-(4-fluorophenyl)-3-oxopyrazin-2-yl]urea
CID 53118199
N-[4-(3-chloro-4-fluorophenyl)-3-oxopyrazin-2-yl]benzamide
CID 53118361
1-(3,4-dimethylphenyl)-3-[2-(1H-indol-3-yl)ethylamino]pyrazin-2-one
CID 20941602
N-[4-(4-fluorophenyl)-3-oxopyrazin-2-yl]-3-methylbenzamide
CID 53118380
N-[4-(3,4-dimethoxyphenyl)-3-oxopyrazin-2-yl]pyridine-4-carboxamide
CID 53118521
3-fluoro-N-[4-(4-fluorophenyl)-3-oxopyrazin-2-yl]benzamide
CID 53118375
N-[4-(3-chloro-4-fluorophenyl)-3-oxopyrazin-2-yl]furan-2-carboxamide
CID 53118353
1-(3-fluoro-4-methylphenyl)-3-hydrazinylpyrazin-2-one
CID 112708450

Frequently Asked Questions

What is the IUPAC name of N-[4-(3,4-dimethylphenyl)-3-oxopyrazin-2-yl]pyridine-2-carboxamide?
The IUPAC name of N-[4-(3,4-dimethylphenyl)-3-oxopyrazin-2-yl]pyridine-2-carboxamide (CID 53118384) is N-[4-(3,4-dimethylphenyl)-3-oxopyrazin-2-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-[4-(3,4-dimethylphenyl)-3-oxopyrazin-2-yl]pyridine-2-carboxamide?
The canonical SMILES for N-[4-(3,4-dimethylphenyl)-3-oxopyrazin-2-yl]pyridine-2-carboxamide is Cc1ccc(-n2ccnc(NC(=O)c3ccccn3)c2=O)cc1C.
What is the InChIKey of N-[4-(3,4-dimethylphenyl)-3-oxopyrazin-2-yl]pyridine-2-carboxamide?
The InChIKey is ATVWCTQFBGVUNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O2/c1-12-6-7-14(11-13(12)2)22-10-9-20-16(18(22)24)21-17(23)15-5-3-4-8-19-15/h3-11H,1-2H3,(H,20,21,23).
What are the key properties of N-[4-(3,4-dimethylphenyl)-3-oxopyrazin-2-yl]pyridine-2-carboxamide?
N-[4-(3,4-dimethylphenyl)-3-oxopyrazin-2-yl]pyridine-2-carboxamide has a molecular weight of 320.35 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,4-dimethylphenyl)-3-oxopyrazin-2-yl]pyridine-2-carboxamide is sourced from PubChem (CID 53118384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).