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

C18H16N4O3 — CID 53118435

IUPACN-[4-(4-ethoxyphenyl)-3-oxopyrazin-2-yl]pyridine-2-carboxamide
SMILESCCOc1ccc(-n2ccnc(NC(=O)c3ccccn3)c2=O)cc1
InChIInChI=1S/C18H16N4O3/c1-2-25-14-8-6-13(7-9-14)22-12-11-20-16(18(22)24)21-17(23)15-5-3-4-10-19-15/h3-12H,2H2,1H3,(H,20,21,23)
InChIKeyOFIXNPSABLNRGJ-UHFFFAOYSA-N
MW336.35 g/mol
LogP2.28
Rot. Bonds5

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

N-[4-(4-ethoxyphenyl)-3-oxopyrazin-2-yl]pyridine-2-carboxamide (PubChem CID 53118435) has the molecular formula C18H16N4O3 and a molecular weight of 336.35 g/mol. Its IUPAC name is N-[4-(4-ethoxyphenyl)-3-oxopyrazin-2-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-(4-ethoxyphenyl)-3-oxopyrazin-2-yl]pyridine-2-carboxamide
PubChem CID53118435
Molecular FormulaC18H16N4O3
Molecular Weight336.35 g/mol
Exact Mass336.12
IUPAC NameN-[4-(4-ethoxyphenyl)-3-oxopyrazin-2-yl]pyridine-2-carboxamide
SMILESCCOc1ccc(-n2ccnc(NC(=O)c3ccccn3)c2=O)cc1
InChIInChI=1S/C18H16N4O3/c1-2-25-14-8-6-13(7-9-14)22-12-11-20-16(18(22)24)21-17(23)15-5-3-4-10-19-15/h3-12H,2H2,1H3,(H,20,21,23)
InChIKeyOFIXNPSABLNRGJ-UHFFFAOYSA-N
XLogP2.28
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-N-[4-(4-ethoxyphenyl)-3-oxopyrazin-2-yl]benzamide
CID 53118437
N-[4-(4-ethoxyphenyl)-3-oxopyrazin-2-yl]-4-methylbenzamide
CID 53118442
1-(4-ethoxyphenyl)-3-[4-(4-ethoxyphenyl)-3-oxopyrazin-2-yl]urea
CID 53118262
1-(4-ethoxyphenyl)-3-(3-oxo-4-phenylpyrazin-2-yl)urea
CID 53118323
N-[4-(3,4-dimethylphenyl)-3-oxopyrazin-2-yl]pyridine-2-carboxamide
CID 53118384
N-[4-(4-ethoxyphenyl)-3-oxopyrazin-2-yl]-1,3-benzodioxole-5-carboxamide
CID 53118441
N-[4-(3-fluorophenyl)-3-oxopyrazin-2-yl]pyridine-2-carboxamide
CID 53118362
1-(4-ethoxyphenyl)-2-oxopyridine-3-carboxylic acid
CID 82121141
2-[4-(4-ethoxyphenyl)-3-oxopyrazin-2-yl]sulfanyl-N-(3-methylphenyl)acetamide
CID 7386620
N-(3,5-dimethoxyphenyl)-2-[4-(4-ethoxyphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide
CID 18579515
3-[(2-chlorophenyl)methylamino]-1-(4-methoxyphenyl)pyrazin-2-one
CID 20941631
N-[4-(3-chloro-4-fluorophenyl)-3-oxopyrazin-2-yl]benzamide
CID 53118361

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-ethoxyphenyl)-3-oxopyrazin-2-yl]pyridine-2-carboxamide?
The IUPAC name of N-[4-(4-ethoxyphenyl)-3-oxopyrazin-2-yl]pyridine-2-carboxamide (CID 53118435) is N-[4-(4-ethoxyphenyl)-3-oxopyrazin-2-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-[4-(4-ethoxyphenyl)-3-oxopyrazin-2-yl]pyridine-2-carboxamide?
The canonical SMILES for N-[4-(4-ethoxyphenyl)-3-oxopyrazin-2-yl]pyridine-2-carboxamide is CCOc1ccc(-n2ccnc(NC(=O)c3ccccn3)c2=O)cc1.
What is the InChIKey of N-[4-(4-ethoxyphenyl)-3-oxopyrazin-2-yl]pyridine-2-carboxamide?
The InChIKey is OFIXNPSABLNRGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O3/c1-2-25-14-8-6-13(7-9-14)22-12-11-20-16(18(22)24)21-17(23)15-5-3-4-10-19-15/h3-12H,2H2,1H3,(H,20,21,23).
What are the key properties of N-[4-(4-ethoxyphenyl)-3-oxopyrazin-2-yl]pyridine-2-carboxamide?
N-[4-(4-ethoxyphenyl)-3-oxopyrazin-2-yl]pyridine-2-carboxamide has a molecular weight of 336.35 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-ethoxyphenyl)-3-oxopyrazin-2-yl]pyridine-2-carboxamide is sourced from PubChem (CID 53118435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).