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

C26H26N4O4 — CID 46393806

IUPACN-[(3,4-dimethoxyphenyl)methyl]-4-(3-oxo-4-propan-2-ylpyrido[2,3-b]pyrazin-2-yl)benzamide
SMILESCOc1ccc(CNC(=O)c2ccc(-c3nc4cccnc4n(C(C)C)c3=O)cc2)cc1OC
InChIInChI=1S/C26H26N4O4/c1-16(2)30-24-20(6-5-13-27-24)29-23(26(30)32)18-8-10-19(11-9-18)25(31)28-15-17-7-12-21(33-3)22(14-17)34-4/h5-14,16H,15H2,1-4H3,(H,28,31)
InChIKeyNAVHXPGVMZMPAI-UHFFFAOYSA-N
MW458.52 g/mol
LogP3.99
Rot. Bonds7

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

N-[(3,4-dimethoxyphenyl)methyl]-4-(3-oxo-4-propan-2-ylpyrido[2,3-b]pyrazin-2-yl)benzamide (PubChem CID 46393806) has the molecular formula C26H26N4O4 and a molecular weight of 458.52 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-4-(3-oxo-4-propan-2-ylpyrido[2,3-b]pyrazin-2-yl)benzamide.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-4-(3-oxo-4-propan-2-ylpyrido[2,3-b]pyrazin-2-yl)benzamide
PubChem CID46393806
Molecular FormulaC26H26N4O4
Molecular Weight458.52 g/mol
Exact Mass458.20
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-4-(3-oxo-4-propan-2-ylpyrido[2,3-b]pyrazin-2-yl)benzamide
SMILESCOc1ccc(CNC(=O)c2ccc(-c3nc4cccnc4n(C(C)C)c3=O)cc2)cc1OC
InChIInChI=1S/C26H26N4O4/c1-16(2)30-24-20(6-5-13-27-24)29-23(26(30)32)18-8-10-19(11-9-18)25(31)28-15-17-7-12-21(33-3)22(14-17)34-4/h5-14,16H,15H2,1-4H3,(H,28,31)
InChIKeyNAVHXPGVMZMPAI-UHFFFAOYSA-N
XLogP3.99
TPSA95.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.52
LogP ≤ 53.99
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-(4-ethyl-3-oxopyrido[2,3-b]pyrazin-2-yl)benzamide
CID 46393769
N-[(2,5-dimethoxyphenyl)methyl]-4-(3-oxo-4-propan-2-ylpyrido[2,3-b]pyrazin-2-yl)benzamide
CID 46393807
N-(3,5-dimethylphenyl)-4-(3-oxo-4-propan-2-ylpyrido[2,3-b]pyrazin-2-yl)benzamide
CID 46393790
N-(2-ethylphenyl)-4-(3-oxo-4-propan-2-ylpyrido[2,3-b]pyrazin-2-yl)benzamide
CID 46393780
N-[(2,5-dimethoxyphenyl)methyl]-4-(4-ethyl-3-oxopyrido[2,3-b]pyrazin-2-yl)benzamide
CID 46393771
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-[(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-(3-chloro-2-pyridinyl)-N-[(3,4-dimethoxyphenyl)methyl]-3-methoxybenzamide
CID 59673505
N-(2-methoxyethyl)-4-(3-oxo-4-propylpyrido[2,3-b]pyrazin-2-yl)benzamide
CID 46393924
N-[(3-fluoro-4-propan-2-yloxyphenyl)methyl]-3,4-dimethoxybenzamide
CID 110782122

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-4-(3-oxo-4-propan-2-ylpyrido[2,3-b]pyrazin-2-yl)benzamide?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-4-(3-oxo-4-propan-2-ylpyrido[2,3-b]pyrazin-2-yl)benzamide (CID 46393806) is N-[(3,4-dimethoxyphenyl)methyl]-4-(3-oxo-4-propan-2-ylpyrido[2,3-b]pyrazin-2-yl)benzamide.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-4-(3-oxo-4-propan-2-ylpyrido[2,3-b]pyrazin-2-yl)benzamide?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-4-(3-oxo-4-propan-2-ylpyrido[2,3-b]pyrazin-2-yl)benzamide is COc1ccc(CNC(=O)c2ccc(-c3nc4cccnc4n(C(C)C)c3=O)cc2)cc1OC.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-4-(3-oxo-4-propan-2-ylpyrido[2,3-b]pyrazin-2-yl)benzamide?
The InChIKey is NAVHXPGVMZMPAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O4/c1-16(2)30-24-20(6-5-13-27-24)29-23(26(30)32)18-8-10-19(11-9-18)25(31)28-15-17-7-12-21(33-3)22(14-17)34-4/h5-14,16H,15H2,1-4H3,(H,28,31).
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-4-(3-oxo-4-propan-2-ylpyrido[2,3-b]pyrazin-2-yl)benzamide?
N-[(3,4-dimethoxyphenyl)methyl]-4-(3-oxo-4-propan-2-ylpyrido[2,3-b]pyrazin-2-yl)benzamide has a molecular weight of 458.52 g/mol, XLogP of 3.99, 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-(3-oxo-4-propan-2-ylpyrido[2,3-b]pyrazin-2-yl)benzamide is sourced from PubChem (CID 46393806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).