ethyl 4-[[5-(4-methylpiperidin-1-yl)pyrazine-2-carbonyl]amino]benzoate

C20H24N4O3 — CID 109275343

IUPACethyl 4-[[5-(4-methylpiperidin-1-yl)pyrazine-2-carbonyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)c2cnc(N3CCC(C)CC3)cn2)cc1
InChIInChI=1S/C20H24N4O3/c1-3-27-20(26)15-4-6-16(7-5-15)23-19(25)17-12-22-18(13-21-17)24-10-8-14(2)9-11-24/h4-7,12-14H,3,8-11H2,1-2H3,(H,23,25)
InChIKeyYLJMTBMFQVMXQR-UHFFFAOYSA-N
MW368.44 g/mol
LogP3.14
Rot. Bonds5

About ethyl 4-[[5-(4-methylpiperidin-1-yl)pyrazine-2-carbonyl]amino]benzoate

ethyl 4-[[5-(4-methylpiperidin-1-yl)pyrazine-2-carbonyl]amino]benzoate (PubChem CID 109275343) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is ethyl 4-[[5-(4-methylpiperidin-1-yl)pyrazine-2-carbonyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 4-[[5-(4-methylpiperidin-1-yl)pyrazine-2-carbonyl]amino]benzoate
PubChem CID109275343
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC Nameethyl 4-[[5-(4-methylpiperidin-1-yl)pyrazine-2-carbonyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)c2cnc(N3CCC(C)CC3)cn2)cc1
InChIInChI=1S/C20H24N4O3/c1-3-27-20(26)15-4-6-16(7-5-15)23-19(25)17-12-22-18(13-21-17)24-10-8-14(2)9-11-24/h4-7,12-14H,3,8-11H2,1-2H3,(H,23,25)
InChIKeyYLJMTBMFQVMXQR-UHFFFAOYSA-N
XLogP3.14
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 4-[[5-(4-methylpiperidin-1-yl)pyrazine-2-carbonyl]amino]benzoate 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

ethyl 4-[[6-(4-methylpiperidine-1-carbonyl)pyridine-2-carbonyl]amino]benzoate
CID 109095536
N-(3-chloro-4-methoxyphenyl)-5-(4-methylpiperidin-1-yl)pyrazine-2-carboxamide
CID 109275297
ethyl 4-[[4-[(4-methylpiperidin-1-yl)methyl]benzoyl]amino]benzoate
CID 92678317
ethyl 4-[5-[(4-methoxyphenyl)carbamoyl]pyrazin-2-yl]piperazine-1-carboxylate
CID 109286350
ethyl 4-[[5-(propan-2-ylamino)pyrazine-2-carbonyl]amino]benzoate
CID 109271524
ethyl 4-[5-[(4-propan-2-ylphenyl)carbamoyl]pyrazin-2-yl]piperazine-1-carboxylate
CID 109286341
ethyl 4-[[6-(azepan-1-yl)pyrimidine-4-carbonyl]amino]benzoate
CID 109355569
N-(4-ethylphenyl)-5-(4-methylpiperazin-1-yl)pyrazine-2-carboxamide
CID 109278327
ethyl 4-[[2-[4-(4-methylpiperidin-1-yl)anilino]-2-oxoethyl]amino]benzoate
CID 109010573
N-(4-acetamidophenyl)-6-(4-methylpiperidin-1-yl)pyridine-3-carboxamide
CID 109152569
ethyl 4-[[5-[(4-ethylphenyl)carbamoyl]pyrazin-2-yl]amino]benzoate
CID 109291635
ethyl 4-[[2-(3-methylpiperidin-1-yl)pyridine-4-carbonyl]amino]benzoate
CID 109175803

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[5-(4-methylpiperidin-1-yl)pyrazine-2-carbonyl]amino]benzoate?
The IUPAC name of ethyl 4-[[5-(4-methylpiperidin-1-yl)pyrazine-2-carbonyl]amino]benzoate (CID 109275343) is ethyl 4-[[5-(4-methylpiperidin-1-yl)pyrazine-2-carbonyl]amino]benzoate.
What is the SMILES notation for ethyl 4-[[5-(4-methylpiperidin-1-yl)pyrazine-2-carbonyl]amino]benzoate?
The canonical SMILES for ethyl 4-[[5-(4-methylpiperidin-1-yl)pyrazine-2-carbonyl]amino]benzoate is CCOC(=O)c1ccc(NC(=O)c2cnc(N3CCC(C)CC3)cn2)cc1.
What is the InChIKey of ethyl 4-[[5-(4-methylpiperidin-1-yl)pyrazine-2-carbonyl]amino]benzoate?
The InChIKey is YLJMTBMFQVMXQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3/c1-3-27-20(26)15-4-6-16(7-5-15)23-19(25)17-12-22-18(13-21-17)24-10-8-14(2)9-11-24/h4-7,12-14H,3,8-11H2,1-2H3,(H,23,25).
What are the key properties of ethyl 4-[[5-(4-methylpiperidin-1-yl)pyrazine-2-carbonyl]amino]benzoate?
ethyl 4-[[5-(4-methylpiperidin-1-yl)pyrazine-2-carbonyl]amino]benzoate has a molecular weight of 368.44 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[5-(4-methylpiperidin-1-yl)pyrazine-2-carbonyl]amino]benzoate is sourced from PubChem (CID 109275343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).