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

C25H24N4O4 — CID 46393769

IUPACN-[(3,4-dimethoxyphenyl)methyl]-4-(4-ethyl-3-oxopyrido[2,3-b]pyrazin-2-yl)benzamide
SMILESCCn1c(=O)c(-c2ccc(C(=O)NCc3ccc(OC)c(OC)c3)cc2)nc2cccnc21
InChIInChI=1S/C25H24N4O4/c1-4-29-23-19(6-5-13-26-23)28-22(25(29)31)17-8-10-18(11-9-17)24(30)27-15-16-7-12-20(32-2)21(14-16)33-3/h5-14H,4,15H2,1-3H3,(H,27,30)
InChIKeyPIWPCUPJXYHICI-UHFFFAOYSA-N
MW444.49 g/mol
LogP3.43
Rot. Bonds7

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

N-[(3,4-dimethoxyphenyl)methyl]-4-(4-ethyl-3-oxopyrido[2,3-b]pyrazin-2-yl)benzamide (PubChem CID 46393769) has the molecular formula C25H24N4O4 and a molecular weight of 444.49 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-4-(4-ethyl-3-oxopyrido[2,3-b]pyrazin-2-yl)benzamide.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-4-(4-ethyl-3-oxopyrido[2,3-b]pyrazin-2-yl)benzamide
PubChem CID46393769
Molecular FormulaC25H24N4O4
Molecular Weight444.49 g/mol
Exact Mass444.18
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-4-(4-ethyl-3-oxopyrido[2,3-b]pyrazin-2-yl)benzamide
SMILESCCn1c(=O)c(-c2ccc(C(=O)NCc3ccc(OC)c(OC)c3)cc2)nc2cccnc21
InChIInChI=1S/C25H24N4O4/c1-4-29-23-19(6-5-13-26-23)28-22(25(29)31)17-8-10-18(11-9-17)24(30)27-15-16-7-12-20(32-2)21(14-16)33-3/h5-14H,4,15H2,1-3H3,(H,27,30)
InChIKeyPIWPCUPJXYHICI-UHFFFAOYSA-N
XLogP3.43
TPSA95.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.49
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(3,4-dimethoxyphenyl)methyl]-4-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)benzamide
CID 46393870
N-[(3,4-dimethoxyphenyl)methyl]-4-(3-oxo-4-propan-2-ylpyrido[2,3-b]pyrazin-2-yl)benzamide
CID 46393806
N-[(2,5-dimethoxyphenyl)methyl]-4-(4-ethyl-3-oxopyrido[2,3-b]pyrazin-2-yl)benzamide
CID 46393771
4-ethyl-N-[(4-methoxyphenyl)methyl]-3-oxopyrido[2,3-b]pyrazine-2-carboxamide
CID 53189785
N-(2-methoxyethyl)-4-(3-oxo-4-propylpyrido[2,3-b]pyrazin-2-yl)benzamide
CID 46393924
4-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 46393856
4-(3-oxo-4-propylpyrido[2,3-b]pyrazin-2-yl)-N-(pyridin-2-ylmethyl)benzamide
CID 46393908
N-[(2,5-dimethoxyphenyl)methyl]-4-(3-oxo-4-propan-2-ylpyrido[2,3-b]pyrazin-2-yl)benzamide
CID 46393807
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
3,4-dimethoxy-N-[2-(2-phenylimidazo[4,5-b]pyridin-3-yl)ethyl]benzamide
CID 53004110
3,4-dimethoxy-N-[2-(2-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)ethyl]benzamide
CID 53019815
4-(3-chloro-2-pyridinyl)-N-[(3,4-dimethoxyphenyl)methyl]-3-methoxybenzamide
CID 59673505

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-4-(4-ethyl-3-oxopyrido[2,3-b]pyrazin-2-yl)benzamide?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-4-(4-ethyl-3-oxopyrido[2,3-b]pyrazin-2-yl)benzamide (CID 46393769) is N-[(3,4-dimethoxyphenyl)methyl]-4-(4-ethyl-3-oxopyrido[2,3-b]pyrazin-2-yl)benzamide.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-4-(4-ethyl-3-oxopyrido[2,3-b]pyrazin-2-yl)benzamide?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-4-(4-ethyl-3-oxopyrido[2,3-b]pyrazin-2-yl)benzamide is CCn1c(=O)c(-c2ccc(C(=O)NCc3ccc(OC)c(OC)c3)cc2)nc2cccnc21.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-4-(4-ethyl-3-oxopyrido[2,3-b]pyrazin-2-yl)benzamide?
The InChIKey is PIWPCUPJXYHICI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O4/c1-4-29-23-19(6-5-13-26-23)28-22(25(29)31)17-8-10-18(11-9-17)24(30)27-15-16-7-12-20(32-2)21(14-16)33-3/h5-14H,4,15H2,1-3H3,(H,27,30).
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-4-(4-ethyl-3-oxopyrido[2,3-b]pyrazin-2-yl)benzamide?
N-[(3,4-dimethoxyphenyl)methyl]-4-(4-ethyl-3-oxopyrido[2,3-b]pyrazin-2-yl)benzamide has a molecular weight of 444.49 g/mol, XLogP of 3.43, 7 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-ethyl-3-oxopyrido[2,3-b]pyrazin-2-yl)benzamide is sourced from PubChem (CID 46393769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).