N-(2-methoxyethyl)-4-(3-oxo-4-propylpyrido[2,3-b]pyrazin-2-yl)benzamide

C20H22N4O3 — CID 46393924

IUPACN-(2-methoxyethyl)-4-(3-oxo-4-propylpyrido[2,3-b]pyrazin-2-yl)benzamide
SMILESCCCn1c(=O)c(-c2ccc(C(=O)NCCOC)cc2)nc2cccnc21
InChIInChI=1S/C20H22N4O3/c1-3-12-24-18-16(5-4-10-21-18)23-17(20(24)26)14-6-8-15(9-7-14)19(25)22-11-13-27-2/h4-10H,3,11-13H2,1-2H3,(H,22,25)
InChIKeyWRXBVGCSPDCRTM-UHFFFAOYSA-N
MW366.42 g/mol
LogP2.24
Rot. Bonds7

About N-(2-methoxyethyl)-4-(3-oxo-4-propylpyrido[2,3-b]pyrazin-2-yl)benzamide

N-(2-methoxyethyl)-4-(3-oxo-4-propylpyrido[2,3-b]pyrazin-2-yl)benzamide (PubChem CID 46393924) has the molecular formula C20H22N4O3 and a molecular weight of 366.42 g/mol. Its IUPAC name is N-(2-methoxyethyl)-4-(3-oxo-4-propylpyrido[2,3-b]pyrazin-2-yl)benzamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-4-(3-oxo-4-propylpyrido[2,3-b]pyrazin-2-yl)benzamide
PubChem CID46393924
Molecular FormulaC20H22N4O3
Molecular Weight366.42 g/mol
Exact Mass366.17
IUPAC NameN-(2-methoxyethyl)-4-(3-oxo-4-propylpyrido[2,3-b]pyrazin-2-yl)benzamide
SMILESCCCn1c(=O)c(-c2ccc(C(=O)NCCOC)cc2)nc2cccnc21
InChIInChI=1S/C20H22N4O3/c1-3-12-24-18-16(5-4-10-21-18)23-17(20(24)26)14-6-8-15(9-7-14)19(25)22-11-13-27-2/h4-10H,3,11-13H2,1-2H3,(H,22,25)
InChIKeyWRXBVGCSPDCRTM-UHFFFAOYSA-N
XLogP2.24
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-(3-oxo-4-propylpyrido[2,3-b]pyrazin-2-yl)-N-(pyridin-2-ylmethyl)benzamide
CID 46393908
4-(3-oxo-4-propylpyrido[2,3-b]pyrazin-2-yl)-N-[(1R)-1-phenylethyl]benzamide
CID 92884755
N-[(3,4-dimethoxyphenyl)methyl]-4-(4-ethyl-3-oxopyrido[2,3-b]pyrazin-2-yl)benzamide
CID 46393769
N-(3-ethoxypropyl)-4-(3-oxo-4-propylquinoxalin-2-yl)benzamide
CID 50838486
N-[(2,5-dimethoxyphenyl)methyl]-4-(4-ethyl-3-oxopyrido[2,3-b]pyrazin-2-yl)benzamide
CID 46393771
N-[(3,4-dimethoxyphenyl)methyl]-4-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)benzamide
CID 46393870
N-[(2-chlorophenyl)methyl]-4-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)benzamide
CID 46393814
N-[3-(azepan-1-yl)propyl]-4-(3-oxo-4-propylquinoxalin-2-yl)benzamide
CID 46395254
N-(2-methoxyethyl)-4-methyl-3-(2-methylimidazo[4,5-b]pyridin-3-yl)benzamide
CID 46277332
4-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 46393856
N-(3-methoxypropyl)-4-methyl-3-oxopyrido[2,3-b]pyrazine-2-carboxamide
CID 53189744
N-cyclohexyl-4-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)benzamide
CID 46393860

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-4-(3-oxo-4-propylpyrido[2,3-b]pyrazin-2-yl)benzamide?
The IUPAC name of N-(2-methoxyethyl)-4-(3-oxo-4-propylpyrido[2,3-b]pyrazin-2-yl)benzamide (CID 46393924) is N-(2-methoxyethyl)-4-(3-oxo-4-propylpyrido[2,3-b]pyrazin-2-yl)benzamide.
What is the SMILES notation for N-(2-methoxyethyl)-4-(3-oxo-4-propylpyrido[2,3-b]pyrazin-2-yl)benzamide?
The canonical SMILES for N-(2-methoxyethyl)-4-(3-oxo-4-propylpyrido[2,3-b]pyrazin-2-yl)benzamide is CCCn1c(=O)c(-c2ccc(C(=O)NCCOC)cc2)nc2cccnc21.
What is the InChIKey of N-(2-methoxyethyl)-4-(3-oxo-4-propylpyrido[2,3-b]pyrazin-2-yl)benzamide?
The InChIKey is WRXBVGCSPDCRTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3/c1-3-12-24-18-16(5-4-10-21-18)23-17(20(24)26)14-6-8-15(9-7-14)19(25)22-11-13-27-2/h4-10H,3,11-13H2,1-2H3,(H,22,25).
What are the key properties of N-(2-methoxyethyl)-4-(3-oxo-4-propylpyrido[2,3-b]pyrazin-2-yl)benzamide?
N-(2-methoxyethyl)-4-(3-oxo-4-propylpyrido[2,3-b]pyrazin-2-yl)benzamide has a molecular weight of 366.42 g/mol, XLogP of 2.24, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-4-(3-oxo-4-propylpyrido[2,3-b]pyrazin-2-yl)benzamide is sourced from PubChem (CID 46393924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).