N-[(3,4-dimethoxyphenyl)methyl]-4-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)benzamide

C24H22N4O4 — CID 46393870

IUPACN-[(3,4-dimethoxyphenyl)methyl]-4-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)benzamide
SMILESCOc1ccc(CNC(=O)c2ccc(-c3nc4cccnc4n(C)c3=O)cc2)cc1OC
InChIInChI=1S/C24H22N4O4/c1-28-22-18(5-4-12-25-22)27-21(24(28)30)16-7-9-17(10-8-16)23(29)26-14-15-6-11-19(31-2)20(13-15)32-3/h4-13H,14H2,1-3H3,(H,26,29)
InChIKeyNYPCERZCFUNCDP-UHFFFAOYSA-N
MW430.46 g/mol
LogP2.94
Rot. Bonds6

About N-[(3,4-dimethoxyphenyl)methyl]-4-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)benzamide

N-[(3,4-dimethoxyphenyl)methyl]-4-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)benzamide (PubChem CID 46393870) has the molecular formula C24H22N4O4 and a molecular weight of 430.46 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-4-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)benzamide.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-4-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)benzamide
PubChem CID46393870
Molecular FormulaC24H22N4O4
Molecular Weight430.46 g/mol
Exact Mass430.16
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-4-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)benzamide
SMILESCOc1ccc(CNC(=O)c2ccc(-c3nc4cccnc4n(C)c3=O)cc2)cc1OC
InChIInChI=1S/C24H22N4O4/c1-28-22-18(5-4-12-25-22)27-21(24(28)30)16-7-9-17(10-8-16)23(29)26-14-15-6-11-19(31-2)20(13-15)32-3/h4-13H,14H2,1-3H3,(H,26,29)
InChIKeyNYPCERZCFUNCDP-UHFFFAOYSA-N
XLogP2.94
TPSA95.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.46
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(3,4-dimethoxyphenyl)methyl]-4-(4-ethyl-3-oxopyrido[2,3-b]pyrazin-2-yl)benzamide
CID 46393769
N-[(3,4-dimethoxyphenyl)methyl]-4-(3-oxo-4-propan-2-ylpyrido[2,3-b]pyrazin-2-yl)benzamide
CID 46393806
4-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 46393856
N-[(2-chlorophenyl)methyl]-4-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)benzamide
CID 46393814
N-[(2,5-dimethoxyphenyl)methyl]-4-(4-ethyl-3-oxopyrido[2,3-b]pyrazin-2-yl)benzamide
CID 46393771
N-[(2,5-dimethoxyphenyl)methyl]-4-(3-oxo-4-propan-2-ylpyrido[2,3-b]pyrazin-2-yl)benzamide
CID 46393807
4-(3-chloro-2-pyridinyl)-N-[(3,4-dimethoxyphenyl)methyl]-3-methoxybenzamide
CID 59673505
N-cyclohexyl-4-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)benzamide
CID 46393860
N-(2-methoxyethyl)-4-(3-oxo-4-propylpyrido[2,3-b]pyrazin-2-yl)benzamide
CID 46393924
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-tert-butyl-N-[(3,4-dimethoxyphenyl)methyl]benzamide
CID 8852512
4-(3-oxo-4-propylpyrido[2,3-b]pyrazin-2-yl)-N-(pyridin-2-ylmethyl)benzamide
CID 46393908

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-4-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)benzamide?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-4-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)benzamide (CID 46393870) is N-[(3,4-dimethoxyphenyl)methyl]-4-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)benzamide.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-4-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)benzamide?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-4-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)benzamide is COc1ccc(CNC(=O)c2ccc(-c3nc4cccnc4n(C)c3=O)cc2)cc1OC.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-4-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)benzamide?
The InChIKey is NYPCERZCFUNCDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O4/c1-28-22-18(5-4-12-25-22)27-21(24(28)30)16-7-9-17(10-8-16)23(29)26-14-15-6-11-19(31-2)20(13-15)32-3/h4-13H,14H2,1-3H3,(H,26,29).
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-4-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)benzamide?
N-[(3,4-dimethoxyphenyl)methyl]-4-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)benzamide has a molecular weight of 430.46 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methyl]-4-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)benzamide is sourced from PubChem (CID 46393870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).