N-(2-methoxyethyl)-4-(2-methoxyphenyl)-3-oxopyrido[2,3-b]pyrazine-2-carboxamide

C18H18N4O4 — CID 134798216

IUPACN-(2-methoxyethyl)-4-(2-methoxyphenyl)-3-oxopyrido[2,3-b]pyrazine-2-carboxamide
SMILESCOCCNC(=O)c1nc2cccnc2n(-c2ccccc2OC)c1=O
InChIInChI=1S/C18H18N4O4/c1-25-11-10-20-17(23)15-18(24)22(13-7-3-4-8-14(13)26-2)16-12(21-15)6-5-9-19-16/h3-9H,10-11H2,1-2H3,(H,20,23)
InChIKeyAABWNIRSCGBUKK-UHFFFAOYSA-N
MW354.37 g/mol
LogP1.17
Rot. Bonds6

About N-(2-methoxyethyl)-4-(2-methoxyphenyl)-3-oxopyrido[2,3-b]pyrazine-2-carboxamide

N-(2-methoxyethyl)-4-(2-methoxyphenyl)-3-oxopyrido[2,3-b]pyrazine-2-carboxamide (PubChem CID 134798216) has the molecular formula C18H18N4O4 and a molecular weight of 354.37 g/mol. Its IUPAC name is N-(2-methoxyethyl)-4-(2-methoxyphenyl)-3-oxopyrido[2,3-b]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-4-(2-methoxyphenyl)-3-oxopyrido[2,3-b]pyrazine-2-carboxamide
PubChem CID134798216
Molecular FormulaC18H18N4O4
Molecular Weight354.37 g/mol
Exact Mass354.13
IUPAC NameN-(2-methoxyethyl)-4-(2-methoxyphenyl)-3-oxopyrido[2,3-b]pyrazine-2-carboxamide
SMILESCOCCNC(=O)c1nc2cccnc2n(-c2ccccc2OC)c1=O
InChIInChI=1S/C18H18N4O4/c1-25-11-10-20-17(23)15-18(24)22(13-7-3-4-8-14(13)26-2)16-12(21-15)6-5-9-19-16/h3-9H,10-11H2,1-2H3,(H,20,23)
InChIKeyAABWNIRSCGBUKK-UHFFFAOYSA-N
XLogP1.17
TPSA95.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.37
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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CID 5684
Bisanilinopyrimidine, 6f
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2-[3-[4-(2-Methoxyphenyl)piperazin-1-yl]propylamino]pyridine-3-carboxamide
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2-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]propylamino]-N,N-dimethylpyridine-3-carboxamide
CID 10787790
1-(2-Methoxyphenyl)-3-(5-methylpyridin-2-yl)urea
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XL844
CID 10016910
1,8-Naphthyridine-3-carboxamide, 1,2-dihydro-4-hydroxy-N-(2-methoxyphenyl)-2-oxo-1-phenyl-
CID 54715430
(carbonyl-11C)WAY-100635
CID 449645
[2-[3-[4-(2-Methoxyphenyl)piperazin-1-yl]propylamino]-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 10550225
2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylamino]-N-methylpyridine-3-carboxamide
CID 10786203
N-(4-(4-(2-methoxyphenyl)piperazin-1-yl)butyl)pyridin-2-amine
CID 49865599

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-4-(2-methoxyphenyl)-3-oxopyrido[2,3-b]pyrazine-2-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-4-(2-methoxyphenyl)-3-oxopyrido[2,3-b]pyrazine-2-carboxamide (CID 134798216) is N-(2-methoxyethyl)-4-(2-methoxyphenyl)-3-oxopyrido[2,3-b]pyrazine-2-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-4-(2-methoxyphenyl)-3-oxopyrido[2,3-b]pyrazine-2-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-4-(2-methoxyphenyl)-3-oxopyrido[2,3-b]pyrazine-2-carboxamide is COCCNC(=O)c1nc2cccnc2n(-c2ccccc2OC)c1=O.
What is the InChIKey of N-(2-methoxyethyl)-4-(2-methoxyphenyl)-3-oxopyrido[2,3-b]pyrazine-2-carboxamide?
The InChIKey is AABWNIRSCGBUKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O4/c1-25-11-10-20-17(23)15-18(24)22(13-7-3-4-8-14(13)26-2)16-12(21-15)6-5-9-19-16/h3-9H,10-11H2,1-2H3,(H,20,23).
What are the key properties of N-(2-methoxyethyl)-4-(2-methoxyphenyl)-3-oxopyrido[2,3-b]pyrazine-2-carboxamide?
N-(2-methoxyethyl)-4-(2-methoxyphenyl)-3-oxopyrido[2,3-b]pyrazine-2-carboxamide has a molecular weight of 354.37 g/mol, XLogP of 1.17, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-4-(2-methoxyphenyl)-3-oxopyrido[2,3-b]pyrazine-2-carboxamide is sourced from PubChem (CID 134798216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).