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

C23H20N4O3 — CID 134798321

IUPAC4-benzyl-N-[(3-methoxyphenyl)methyl]-3-oxopyrido[2,3-b]pyrazine-2-carboxamide
SMILESCOc1cccc(CNC(=O)c2nc3cccnc3n(Cc3ccccc3)c2=O)c1
InChIInChI=1S/C23H20N4O3/c1-30-18-10-5-9-17(13-18)14-25-22(28)20-23(29)27(15-16-7-3-2-4-8-16)21-19(26-20)11-6-12-24-21/h2-13H,14-15H2,1H3,(H,25,28)
InChIKeyCLRPQXVSCIWOJX-UHFFFAOYSA-N
MW400.44 g/mol
LogP2.78
Rot. Bonds6

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

4-benzyl-N-[(3-methoxyphenyl)methyl]-3-oxopyrido[2,3-b]pyrazine-2-carboxamide (PubChem CID 134798321) has the molecular formula C23H20N4O3 and a molecular weight of 400.44 g/mol. Its IUPAC name is 4-benzyl-N-[(3-methoxyphenyl)methyl]-3-oxopyrido[2,3-b]pyrazine-2-carboxamide.

Molecular Properties

Compound Name4-benzyl-N-[(3-methoxyphenyl)methyl]-3-oxopyrido[2,3-b]pyrazine-2-carboxamide
PubChem CID134798321
Molecular FormulaC23H20N4O3
Molecular Weight400.44 g/mol
Exact Mass400.15
IUPAC Name4-benzyl-N-[(3-methoxyphenyl)methyl]-3-oxopyrido[2,3-b]pyrazine-2-carboxamide
SMILESCOc1cccc(CNC(=O)c2nc3cccnc3n(Cc3ccccc3)c2=O)c1
InChIInChI=1S/C23H20N4O3/c1-30-18-10-5-9-17(13-18)14-25-22(28)20-23(29)27(15-16-7-3-2-4-8-16)21-19(26-20)11-6-12-24-21/h2-13H,14-15H2,1H3,(H,25,28)
InChIKeyCLRPQXVSCIWOJX-UHFFFAOYSA-N
XLogP2.78
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.44
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-ethyl-N-[(4-methoxyphenyl)methyl]-3-oxopyrido[2,3-b]pyrazine-2-carboxamide
CID 53189785
3-methoxy-N-[[3-[(3-methoxyphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methyl]benzamide
CID 53020588
N-[[3-[(3-methoxyphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methyl]pyridine-3-carboxamide
CID 53020605
2-(3-methoxyphenyl)-N-[[3-[(4-methylphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methyl]acetamide
CID 53020568
N-[(3-methylphenyl)methyl]-4-(2-methylpropyl)-3-oxopyrido[2,3-b]pyrazine-2-carboxamide
CID 53189896
N-[(3-methoxyphenyl)methyl]-1-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperidine-4-carboxamide
CID 50781083
4-benzyl-N-(4-fluorophenyl)-3-oxopyrido[2,3-b]pyrazine-2-carboxamide
CID 134796970
2-[(3-methoxyphenyl)methylcarbamoyl]pyridine-3-carboxylic acid
CID 63615083
3-[(3-methoxyphenyl)methyl]-2-methylimidazo[4,5-b]pyridine
CID 117166254
N-[[3-(2-methoxyethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-2-(3-methoxyphenyl)acetamide
CID 53022337
N-[(3-methoxyphenyl)methyl]-3-(3-propylimidazo[4,5-b]pyridin-2-yl)propanamide
CID 46256846
3-fluoro-N-[(3-methoxyphenyl)methyl]-4-oxoquinazoline-2-carboxamide
CID 141129820

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-N-[(3-methoxyphenyl)methyl]-3-oxopyrido[2,3-b]pyrazine-2-carboxamide?
The IUPAC name of 4-benzyl-N-[(3-methoxyphenyl)methyl]-3-oxopyrido[2,3-b]pyrazine-2-carboxamide (CID 134798321) is 4-benzyl-N-[(3-methoxyphenyl)methyl]-3-oxopyrido[2,3-b]pyrazine-2-carboxamide.
What is the SMILES notation for 4-benzyl-N-[(3-methoxyphenyl)methyl]-3-oxopyrido[2,3-b]pyrazine-2-carboxamide?
The canonical SMILES for 4-benzyl-N-[(3-methoxyphenyl)methyl]-3-oxopyrido[2,3-b]pyrazine-2-carboxamide is COc1cccc(CNC(=O)c2nc3cccnc3n(Cc3ccccc3)c2=O)c1.
What is the InChIKey of 4-benzyl-N-[(3-methoxyphenyl)methyl]-3-oxopyrido[2,3-b]pyrazine-2-carboxamide?
The InChIKey is CLRPQXVSCIWOJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O3/c1-30-18-10-5-9-17(13-18)14-25-22(28)20-23(29)27(15-16-7-3-2-4-8-16)21-19(26-20)11-6-12-24-21/h2-13H,14-15H2,1H3,(H,25,28).
What are the key properties of 4-benzyl-N-[(3-methoxyphenyl)methyl]-3-oxopyrido[2,3-b]pyrazine-2-carboxamide?
4-benzyl-N-[(3-methoxyphenyl)methyl]-3-oxopyrido[2,3-b]pyrazine-2-carboxamide has a molecular weight of 400.44 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-N-[(3-methoxyphenyl)methyl]-3-oxopyrido[2,3-b]pyrazine-2-carboxamide is sourced from PubChem (CID 134798321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).