N-(2,5-dimethoxyphenyl)-4-(4-ethyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperazine-1-carboxamide

C22H26N6O4 — CID 83273552

IUPACN-(2,5-dimethoxyphenyl)-4-(4-ethyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperazine-1-carboxamide
SMILESCCn1c(=O)c(N2CCN(C(=O)Nc3cc(OC)ccc3OC)CC2)nc2cccnc21
InChIInChI=1S/C22H26N6O4/c1-4-28-19-16(6-5-9-23-19)24-20(21(28)29)26-10-12-27(13-11-26)22(30)25-17-14-15(31-2)7-8-18(17)32-3/h5-9,14H,4,10-13H2,1-3H3,(H,25,30)
InChIKeyXOIDNQVCCUJDJF-UHFFFAOYSA-N
MW438.49 g/mol
LogP2.18
Rot. Bonds5

About N-(2,5-dimethoxyphenyl)-4-(4-ethyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperazine-1-carboxamide

N-(2,5-dimethoxyphenyl)-4-(4-ethyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperazine-1-carboxamide (PubChem CID 83273552) has the molecular formula C22H26N6O4 and a molecular weight of 438.49 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-4-(4-ethyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-4-(4-ethyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperazine-1-carboxamide
PubChem CID83273552
Molecular FormulaC22H26N6O4
Molecular Weight438.49 g/mol
Exact Mass438.20
IUPAC NameN-(2,5-dimethoxyphenyl)-4-(4-ethyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperazine-1-carboxamide
SMILESCCn1c(=O)c(N2CCN(C(=O)Nc3cc(OC)ccc3OC)CC2)nc2cccnc21
InChIInChI=1S/C22H26N6O4/c1-4-28-19-16(6-5-9-23-19)24-20(21(28)29)26-10-12-27(13-11-26)22(30)25-17-14-15(31-2)7-8-18(17)32-3/h5-9,14H,4,10-13H2,1-3H3,(H,25,30)
InChIKeyXOIDNQVCCUJDJF-UHFFFAOYSA-N
XLogP2.18
TPSA101.82 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.49
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-(2,5-dimethoxyphenyl)-4-(4-ethyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperazine-1-carboxamide with MolForge

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Related Compounds

methyl 2-[[4-(4-ethyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperazine-1-carbonyl]amino]-4-methylbenzoate
CID 53019970
N-(2-chlorophenyl)-4-(4-ethyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperazine-1-carboxamide
CID 53019941
N-(3-chlorophenyl)-4-(4-ethyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperazine-1-carboxamide
CID 83273543
4-(4-ethyl-3-oxopyrido[2,3-b]pyrazin-2-yl)-N-(3-fluoro-4-methylphenyl)piperazine-1-carboxamide
CID 83277226
4-ethyl-2-(4-propanoylpiperazin-1-yl)pyrido[2,3-b]pyrazin-3-one
CID 87050114
N-(2,4-dimethoxyphenyl)-4-[2-(2-ethylimidazo[4,5-b]pyridin-3-yl)ethyl]piperazine-1-carboxamide
CID 46389548
N-(3,5-dimethoxyphenyl)-4-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperazine-1-carboxamide
CID 83274079
ethyl (3R)-3-[[4-(4-ethyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperazine-1-carbonyl]amino]-3-phenylpropanoate
CID 95053127
methyl 2-[[4-(4-ethyl-3-oxoquinoxalin-2-yl)piperazine-1-carbonyl]amino]benzoate
CID 53070062
4-(4-ethyl-3-oxoquinoxalin-2-yl)-N-(2-fluorophenyl)piperazine-1-carboxamide
CID 53070095
4-(2,4-dimethoxyphenyl)-N-quinolin-8-ylpiperazine-1-carboxamide
CID 113114017
N-(2-methoxyphenyl)-4-[2-[2-(4-methylphenyl)imidazo[4,5-b]pyridin-3-yl]ethyl]piperazine-1-carboxamide
CID 46389453

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-4-(4-ethyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperazine-1-carboxamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-4-(4-ethyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperazine-1-carboxamide (CID 83273552) is N-(2,5-dimethoxyphenyl)-4-(4-ethyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperazine-1-carboxamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-4-(4-ethyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperazine-1-carboxamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-4-(4-ethyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperazine-1-carboxamide is CCn1c(=O)c(N2CCN(C(=O)Nc3cc(OC)ccc3OC)CC2)nc2cccnc21.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-4-(4-ethyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperazine-1-carboxamide?
The InChIKey is XOIDNQVCCUJDJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O4/c1-4-28-19-16(6-5-9-23-19)24-20(21(28)29)26-10-12-27(13-11-26)22(30)25-17-14-15(31-2)7-8-18(17)32-3/h5-9,14H,4,10-13H2,1-3H3,(H,25,30).
What are the key properties of N-(2,5-dimethoxyphenyl)-4-(4-ethyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperazine-1-carboxamide?
N-(2,5-dimethoxyphenyl)-4-(4-ethyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperazine-1-carboxamide has a molecular weight of 438.49 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-4-(4-ethyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperazine-1-carboxamide is sourced from PubChem (CID 83273552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).