N-[(2,4-dimethoxyphenyl)methyl]-4-[(2,3-dioxo-1H-pyrido[2,3-b]pyrazin-4-yl)methyl]benzamide

C24H22N4O5 — CID 46283236

IUPACN-[(2,4-dimethoxyphenyl)methyl]-4-[(2,3-dioxo-1H-pyrido[2,3-b]pyrazin-4-yl)methyl]benzamide
SMILESCOc1ccc(CNC(=O)c2ccc(Cn3c(=O)c(=O)[nH]c4cccnc43)cc2)c(OC)c1
InChIInChI=1S/C24H22N4O5/c1-32-18-10-9-17(20(12-18)33-2)13-26-22(29)16-7-5-15(6-8-16)14-28-21-19(4-3-11-25-21)27-23(30)24(28)31/h3-12H,13-14H2,1-2H3,(H,26,29)(H,27,30)
InChIKeyQJOJGZPXVWAXAN-UHFFFAOYSA-N
MW446.46 g/mol
LogP2.08
Rot. Bonds7

About N-[(2,4-dimethoxyphenyl)methyl]-4-[(2,3-dioxo-1H-pyrido[2,3-b]pyrazin-4-yl)methyl]benzamide

N-[(2,4-dimethoxyphenyl)methyl]-4-[(2,3-dioxo-1H-pyrido[2,3-b]pyrazin-4-yl)methyl]benzamide (PubChem CID 46283236) has the molecular formula C24H22N4O5 and a molecular weight of 446.46 g/mol. Its IUPAC name is N-[(2,4-dimethoxyphenyl)methyl]-4-[(2,3-dioxo-1H-pyrido[2,3-b]pyrazin-4-yl)methyl]benzamide.

Molecular Properties

Compound NameN-[(2,4-dimethoxyphenyl)methyl]-4-[(2,3-dioxo-1H-pyrido[2,3-b]pyrazin-4-yl)methyl]benzamide
PubChem CID46283236
Molecular FormulaC24H22N4O5
Molecular Weight446.46 g/mol
Exact Mass446.16
IUPAC NameN-[(2,4-dimethoxyphenyl)methyl]-4-[(2,3-dioxo-1H-pyrido[2,3-b]pyrazin-4-yl)methyl]benzamide
SMILESCOc1ccc(CNC(=O)c2ccc(Cn3c(=O)c(=O)[nH]c4cccnc43)cc2)c(OC)c1
InChIInChI=1S/C24H22N4O5/c1-32-18-10-9-17(20(12-18)33-2)13-26-22(29)16-7-5-15(6-8-16)14-28-21-19(4-3-11-25-21)27-23(30)24(28)31/h3-12H,13-14H2,1-2H3,(H,26,29)(H,27,30)
InChIKeyQJOJGZPXVWAXAN-UHFFFAOYSA-N
XLogP2.08
TPSA115.31 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.46
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[(2,4-dimethoxyphenyl)methyl]-2-[2,3-dioxo-4-(pyridin-4-ylmethyl)pyrido[2,3-b]pyrazin-1-yl]acetamide
CID 53001236
N-[(2-methoxyphenyl)methyl]-3-[(4-methoxyphenyl)methyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide
CID 3324304
N-[(2,4-dimethoxyphenyl)methyl]-4-phenylbenzamide
CID 46590205
4-tert-butyl-N-[(2,4-dimethoxyphenyl)methyl]benzamide
CID 71822536
N-[(2,5-dimethoxyphenyl)methyl]-4-(4-ethyl-3-oxopyrido[2,3-b]pyrazin-2-yl)benzamide
CID 46393771
N-[(4-ethoxy-3-methoxyphenyl)methyl]-4-[(7-oxo-2,8,10-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-yl)methyl]benzamide
CID 22553602
4-chloro-8-[(2,4-dimethoxyphenyl)methyl]-5H-pteridine-6,7-dione
CID 154663192
N-[(2,4-dimethoxyphenyl)methyl]-2-oxo-1H-pyridine-4-carboxamide
CID 103762837
2-(2,4-dimethoxyphenyl)-N-[(2-methoxy-3-pyridinyl)methyl]acetamide
CID 37485782
N,1-bis[(2,4-dimethoxyphenyl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide
CID 55632444
N-[(2,5-dimethoxyphenyl)methyl]-4-(3-oxo-4-propan-2-ylpyrido[2,3-b]pyrazin-2-yl)benzamide
CID 46393807
N-[(4-ethoxyphenyl)methyl]-4-[(7-oxo-2,8,10-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-yl)methyl]benzamide
CID 50757189

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-4-[(2,3-dioxo-1H-pyrido[2,3-b]pyrazin-4-yl)methyl]benzamide?
The IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-4-[(2,3-dioxo-1H-pyrido[2,3-b]pyrazin-4-yl)methyl]benzamide (CID 46283236) is N-[(2,4-dimethoxyphenyl)methyl]-4-[(2,3-dioxo-1H-pyrido[2,3-b]pyrazin-4-yl)methyl]benzamide.
What is the SMILES notation for N-[(2,4-dimethoxyphenyl)methyl]-4-[(2,3-dioxo-1H-pyrido[2,3-b]pyrazin-4-yl)methyl]benzamide?
The canonical SMILES for N-[(2,4-dimethoxyphenyl)methyl]-4-[(2,3-dioxo-1H-pyrido[2,3-b]pyrazin-4-yl)methyl]benzamide is COc1ccc(CNC(=O)c2ccc(Cn3c(=O)c(=O)[nH]c4cccnc43)cc2)c(OC)c1.
What is the InChIKey of N-[(2,4-dimethoxyphenyl)methyl]-4-[(2,3-dioxo-1H-pyrido[2,3-b]pyrazin-4-yl)methyl]benzamide?
The InChIKey is QJOJGZPXVWAXAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O5/c1-32-18-10-9-17(20(12-18)33-2)13-26-22(29)16-7-5-15(6-8-16)14-28-21-19(4-3-11-25-21)27-23(30)24(28)31/h3-12H,13-14H2,1-2H3,(H,26,29)(H,27,30).
What are the key properties of N-[(2,4-dimethoxyphenyl)methyl]-4-[(2,3-dioxo-1H-pyrido[2,3-b]pyrazin-4-yl)methyl]benzamide?
N-[(2,4-dimethoxyphenyl)methyl]-4-[(2,3-dioxo-1H-pyrido[2,3-b]pyrazin-4-yl)methyl]benzamide has a molecular weight of 446.46 g/mol, XLogP of 2.08, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethoxyphenyl)methyl]-4-[(2,3-dioxo-1H-pyrido[2,3-b]pyrazin-4-yl)methyl]benzamide is sourced from PubChem (CID 46283236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).