methyl 3-[[5-(3-methylpiperidin-1-yl)pyrazine-2-carbonyl]amino]benzoate

C19H22N4O3 — CID 109288853

IUPACmethyl 3-[[5-(3-methylpiperidin-1-yl)pyrazine-2-carbonyl]amino]benzoate
SMILESCOC(=O)c1cccc(NC(=O)c2cnc(N3CCCC(C)C3)cn2)c1
InChIInChI=1S/C19H22N4O3/c1-13-5-4-8-23(12-13)17-11-20-16(10-21-17)18(24)22-15-7-3-6-14(9-15)19(25)26-2/h3,6-7,9-11,13H,4-5,8,12H2,1-2H3,(H,22,24)
InChIKeyHXXWZLZJSIWWOU-UHFFFAOYSA-N
MW354.41 g/mol
LogP2.75
Rot. Bonds4

About methyl 3-[[5-(3-methylpiperidin-1-yl)pyrazine-2-carbonyl]amino]benzoate

methyl 3-[[5-(3-methylpiperidin-1-yl)pyrazine-2-carbonyl]amino]benzoate (PubChem CID 109288853) has the molecular formula C19H22N4O3 and a molecular weight of 354.41 g/mol. Its IUPAC name is methyl 3-[[5-(3-methylpiperidin-1-yl)pyrazine-2-carbonyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 3-[[5-(3-methylpiperidin-1-yl)pyrazine-2-carbonyl]amino]benzoate
PubChem CID109288853
Molecular FormulaC19H22N4O3
Molecular Weight354.41 g/mol
Exact Mass354.17
IUPAC Namemethyl 3-[[5-(3-methylpiperidin-1-yl)pyrazine-2-carbonyl]amino]benzoate
SMILESCOC(=O)c1cccc(NC(=O)c2cnc(N3CCCC(C)C3)cn2)c1
InChIInChI=1S/C19H22N4O3/c1-13-5-4-8-23(12-13)17-11-20-16(10-21-17)18(24)22-15-7-3-6-14(9-15)19(25)26-2/h3,6-7,9-11,13H,4-5,8,12H2,1-2H3,(H,22,24)
InChIKeyHXXWZLZJSIWWOU-UHFFFAOYSA-N
XLogP2.75
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 3-[[5-(3-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

methyl 3-[(5-piperidin-1-ylpyrazine-2-carbonyl)amino]benzoate
CID 109274586
N-(2,6-diethylphenyl)-5-(3-methylpiperidin-1-yl)pyrazine-2-carboxamide
CID 109288815
methyl 3-[[5-(2-methyl-2,3-dihydroindol-1-yl)pyrazine-2-carbonyl]amino]benzoate
CID 109294195
N-(5-chloro-2-methylphenyl)-5-(3-methylpiperidin-1-yl)pyrazine-2-carboxamide
CID 109288825
methyl 3-[(5-chloropyrazine-2-carbonyl)amino]benzoate
CID 103817046
N-(3-acetylphenyl)-5-(4-methylpiperazin-1-yl)pyrazine-2-carboxamide
CID 109278366
N-(3-acetamidophenyl)-2-(3-methylpiperidin-1-yl)pyridine-4-carboxamide
CID 109175784
methyl 3-[(2-pyrrolidin-1-ylpyrimidine-5-carbonyl)amino]benzoate
CID 109249479
N-(3-methoxyphenyl)-2-methyl-6-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 112847330
N-(3-bromophenyl)-2-(3-methylpiperidin-1-yl)pyrimidine-5-carboxamide
CID 109264504
methyl 3-[[2-(azepan-1-yl)pyrimidine-5-carbonyl]amino]benzoate
CID 109265014
3,5-dimethoxy-N-[6-(3-methylpiperidin-1-yl)-3-pyridinyl]benzamide
CID 113015617

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[5-(3-methylpiperidin-1-yl)pyrazine-2-carbonyl]amino]benzoate?
The IUPAC name of methyl 3-[[5-(3-methylpiperidin-1-yl)pyrazine-2-carbonyl]amino]benzoate (CID 109288853) is methyl 3-[[5-(3-methylpiperidin-1-yl)pyrazine-2-carbonyl]amino]benzoate.
What is the SMILES notation for methyl 3-[[5-(3-methylpiperidin-1-yl)pyrazine-2-carbonyl]amino]benzoate?
The canonical SMILES for methyl 3-[[5-(3-methylpiperidin-1-yl)pyrazine-2-carbonyl]amino]benzoate is COC(=O)c1cccc(NC(=O)c2cnc(N3CCCC(C)C3)cn2)c1.
What is the InChIKey of methyl 3-[[5-(3-methylpiperidin-1-yl)pyrazine-2-carbonyl]amino]benzoate?
The InChIKey is HXXWZLZJSIWWOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3/c1-13-5-4-8-23(12-13)17-11-20-16(10-21-17)18(24)22-15-7-3-6-14(9-15)19(25)26-2/h3,6-7,9-11,13H,4-5,8,12H2,1-2H3,(H,22,24).
What are the key properties of methyl 3-[[5-(3-methylpiperidin-1-yl)pyrazine-2-carbonyl]amino]benzoate?
methyl 3-[[5-(3-methylpiperidin-1-yl)pyrazine-2-carbonyl]amino]benzoate has a molecular weight of 354.41 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[5-(3-methylpiperidin-1-yl)pyrazine-2-carbonyl]amino]benzoate is sourced from PubChem (CID 109288853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).