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

C18H16N4O4 — CID 53118521

IUPACN-[4-(3,4-dimethoxyphenyl)-3-oxopyrazin-2-yl]pyridine-4-carboxamide
SMILESCOc1ccc(-n2ccnc(NC(=O)c3ccncc3)c2=O)cc1OC
InChIInChI=1S/C18H16N4O4/c1-25-14-4-3-13(11-15(14)26-2)22-10-9-20-16(18(22)24)21-17(23)12-5-7-19-8-6-12/h3-11H,1-2H3,(H,20,21,23)
InChIKeyFBERLAJRUFYMMZ-UHFFFAOYSA-N
MW352.35 g/mol
LogP1.90
Rot. Bonds5

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

N-[4-(3,4-dimethoxyphenyl)-3-oxopyrazin-2-yl]pyridine-4-carboxamide (PubChem CID 53118521) has the molecular formula C18H16N4O4 and a molecular weight of 352.35 g/mol. Its IUPAC name is N-[4-(3,4-dimethoxyphenyl)-3-oxopyrazin-2-yl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(3,4-dimethoxyphenyl)-3-oxopyrazin-2-yl]pyridine-4-carboxamide
PubChem CID53118521
Molecular FormulaC18H16N4O4
Molecular Weight352.35 g/mol
Exact Mass352.12
IUPAC NameN-[4-(3,4-dimethoxyphenyl)-3-oxopyrazin-2-yl]pyridine-4-carboxamide
SMILESCOc1ccc(-n2ccnc(NC(=O)c3ccncc3)c2=O)cc1OC
InChIInChI=1S/C18H16N4O4/c1-25-14-4-3-13(11-15(14)26-2)22-10-9-20-16(18(22)24)21-17(23)12-5-7-19-8-6-12/h3-11H,1-2H3,(H,20,21,23)
InChIKeyFBERLAJRUFYMMZ-UHFFFAOYSA-N
XLogP1.90
TPSA95.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.35
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-(3,5-dimethoxyphenyl)-3-[4-(3,4-dimethoxyphenyl)-3-oxopyrazin-2-yl]urea
CID 53118349
N-[4-(3,5-dimethylphenyl)-3-oxopyrazin-2-yl]-3,4,5-trimethoxybenzamide
CID 22425056
1-(3,4-dimethoxyphenyl)-3-[(2-methoxyphenyl)methylamino]pyrazin-2-one
CID 20941640
N-[4-(3-chloro-4-fluorophenyl)-3-oxopyrazin-2-yl]benzamide
CID 53118361
N-[4-(4-ethoxyphenyl)-3-oxopyrazin-2-yl]-4-methylbenzamide
CID 53118442
4-chloro-N-[4-(4-ethoxyphenyl)-3-oxopyrazin-2-yl]benzamide
CID 53118437
3-fluoro-N-[4-(4-fluorophenyl)-3-oxopyrazin-2-yl]benzamide
CID 53118375
3-[(3,4-dimethoxyphenyl)methylamino]-1-(4-methoxyphenyl)pyrazin-2-one
CID 18591886
4-[2-[[4-(3,4-dimethoxyphenyl)-3-oxopyrazin-2-yl]amino]ethyl]benzenesulfonamide
CID 20941642
1-(3,4-difluorophenyl)-3-[2-(3,4-dimethoxyphenyl)ethylamino]pyrazin-2-one
CID 18591923
3-[(3,4-dimethoxyphenyl)methylamino]-1-(3,5-dimethylphenyl)pyrazin-2-one
CID 16824606
N-(3-bromo-4-methoxyphenyl)pyridine-4-carboxamide
CID 110776808

Frequently Asked Questions

What is the IUPAC name of N-[4-(3,4-dimethoxyphenyl)-3-oxopyrazin-2-yl]pyridine-4-carboxamide?
The IUPAC name of N-[4-(3,4-dimethoxyphenyl)-3-oxopyrazin-2-yl]pyridine-4-carboxamide (CID 53118521) is N-[4-(3,4-dimethoxyphenyl)-3-oxopyrazin-2-yl]pyridine-4-carboxamide.
What is the SMILES notation for N-[4-(3,4-dimethoxyphenyl)-3-oxopyrazin-2-yl]pyridine-4-carboxamide?
The canonical SMILES for N-[4-(3,4-dimethoxyphenyl)-3-oxopyrazin-2-yl]pyridine-4-carboxamide is COc1ccc(-n2ccnc(NC(=O)c3ccncc3)c2=O)cc1OC.
What is the InChIKey of N-[4-(3,4-dimethoxyphenyl)-3-oxopyrazin-2-yl]pyridine-4-carboxamide?
The InChIKey is FBERLAJRUFYMMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O4/c1-25-14-4-3-13(11-15(14)26-2)22-10-9-20-16(18(22)24)21-17(23)12-5-7-19-8-6-12/h3-11H,1-2H3,(H,20,21,23).
What are the key properties of N-[4-(3,4-dimethoxyphenyl)-3-oxopyrazin-2-yl]pyridine-4-carboxamide?
N-[4-(3,4-dimethoxyphenyl)-3-oxopyrazin-2-yl]pyridine-4-carboxamide has a molecular weight of 352.35 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,4-dimethoxyphenyl)-3-oxopyrazin-2-yl]pyridine-4-carboxamide is sourced from PubChem (CID 53118521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).