1-[1-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperidine-4-carbonyl]piperidine-4-carboxamide

C20H26N6O3 — CID 46324847

IUPAC1-[1-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperidine-4-carbonyl]piperidine-4-carboxamide
SMILESCn1c(=O)c(N2CCC(C(=O)N3CCC(C(N)=O)CC3)CC2)nc2cccnc21
InChIInChI=1S/C20H26N6O3/c1-24-17-15(3-2-8-22-17)23-18(20(24)29)25-9-6-14(7-10-25)19(28)26-11-4-13(5-12-26)16(21)27/h2-3,8,13-14H,4-7,9-12H2,1H3,(H2,21,27)
InChIKeyCEPUNAWXWWDMHV-UHFFFAOYSA-N
MW398.47 g/mol
LogP0.27
Rot. Bonds3

About 1-[1-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperidine-4-carbonyl]piperidine-4-carboxamide

1-[1-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperidine-4-carbonyl]piperidine-4-carboxamide (PubChem CID 46324847) has the molecular formula C20H26N6O3 and a molecular weight of 398.47 g/mol. Its IUPAC name is 1-[1-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperidine-4-carbonyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[1-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperidine-4-carbonyl]piperidine-4-carboxamide
PubChem CID46324847
Molecular FormulaC20H26N6O3
Molecular Weight398.47 g/mol
Exact Mass398.21
IUPAC Name1-[1-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperidine-4-carbonyl]piperidine-4-carboxamide
SMILESCn1c(=O)c(N2CCC(C(=O)N3CCC(C(N)=O)CC3)CC2)nc2cccnc21
InChIInChI=1S/C20H26N6O3/c1-24-17-15(3-2-8-22-17)23-18(20(24)29)25-9-6-14(7-10-25)19(28)26-11-4-13(5-12-26)16(21)27/h2-3,8,13-14H,4-7,9-12H2,1H3,(H2,21,27)
InChIKeyCEPUNAWXWWDMHV-UHFFFAOYSA-N
XLogP0.27
TPSA114.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.47
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[1-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperidine-4-carbonyl]piperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methyl-2-[4-(morpholine-4-carbonyl)piperidin-1-yl]pyrido[2,3-b]pyrazin-3-one
CID 50781233
1-(3-methylimidazo[4,5-b]pyridin-2-yl)piperidine-4-carboxamide
CID 154582460
[1-(3-methylimidazo[4,5-b]pyridin-2-yl)piperidin-4-yl]-thiomorpholin-4-ylmethanone
CID 163358227
(4,4-difluoropiperidin-1-yl)-[1-(3-methylimidazo[4,5-b]pyridin-2-yl)piperidin-4-yl]methanone
CID 155976040
1-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 50781257
4-benzyl-2-[4-(cyclopentanecarbonyl)piperazin-1-yl]pyrido[2,3-b]pyrazin-3-one
CID 53021545
N-[(2-methoxyphenyl)methyl]-1-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperidine-4-carboxamide
CID 50781259
2-[4-(cyclohexanecarbonyl)piperazin-1-yl]-4-[(4-methylphenyl)methyl]pyrido[2,3-b]pyrazin-3-one
CID 83276810
2-[3-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]piperidin-1-yl]-4-methylpyrido[2,3-b]pyrazin-3-one
CID 50781430
[1-(3-methylimidazo[4,5-b]pyridin-2-yl)azetidin-3-yl]-morpholin-4-ylmethanone
CID 163352856
N-[(2S)-1-(furan-2-yl)propan-2-yl]-1-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperidine-4-carboxamide
CID 92869716
1-[(2S)-butan-2-yl]-3-[1-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperidin-4-yl]urea
CID 95053319

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperidine-4-carbonyl]piperidine-4-carboxamide?
The IUPAC name of 1-[1-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperidine-4-carbonyl]piperidine-4-carboxamide (CID 46324847) is 1-[1-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperidine-4-carbonyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[1-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperidine-4-carbonyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[1-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperidine-4-carbonyl]piperidine-4-carboxamide is Cn1c(=O)c(N2CCC(C(=O)N3CCC(C(N)=O)CC3)CC2)nc2cccnc21.
What is the InChIKey of 1-[1-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperidine-4-carbonyl]piperidine-4-carboxamide?
The InChIKey is CEPUNAWXWWDMHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6O3/c1-24-17-15(3-2-8-22-17)23-18(20(24)29)25-9-6-14(7-10-25)19(28)26-11-4-13(5-12-26)16(21)27/h2-3,8,13-14H,4-7,9-12H2,1H3,(H2,21,27).
What are the key properties of 1-[1-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperidine-4-carbonyl]piperidine-4-carboxamide?
1-[1-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperidine-4-carbonyl]piperidine-4-carboxamide has a molecular weight of 398.47 g/mol, XLogP of 0.27, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperidine-4-carbonyl]piperidine-4-carboxamide is sourced from PubChem (CID 46324847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).