2-[4-[5-amino-6-(pyridin-3-ylcarbamoyl)pyrazin-2-yl]phenyl]ethyl methanesulfonate

C19H19N5O4S — CID 86661489

IUPAC2-[4-[5-amino-6-(pyridin-3-ylcarbamoyl)pyrazin-2-yl]phenyl]ethyl methanesulfonate
SMILESCS(=O)(=O)OCCc1ccc(-c2cnc(N)c(C(=O)Nc3cccnc3)n2)cc1
InChIInChI=1S/C19H19N5O4S/c1-29(26,27)28-10-8-13-4-6-14(7-5-13)16-12-22-18(20)17(24-16)19(25)23-15-3-2-9-21-11-15/h2-7,9,11-12H,8,10H2,1H3,(H2,20,22)(H,23,25)
InChIKeyITMYUZSYKNXQBX-UHFFFAOYSA-N
MW413.46 g/mol
LogP1.89
Rot. Bonds7

About 2-[4-[5-amino-6-(pyridin-3-ylcarbamoyl)pyrazin-2-yl]phenyl]ethyl methanesulfonate

2-[4-[5-amino-6-(pyridin-3-ylcarbamoyl)pyrazin-2-yl]phenyl]ethyl methanesulfonate (PubChem CID 86661489) has the molecular formula C19H19N5O4S and a molecular weight of 413.46 g/mol. Its IUPAC name is 2-[4-[5-amino-6-(pyridin-3-ylcarbamoyl)pyrazin-2-yl]phenyl]ethyl methanesulfonate.

Molecular Properties

Compound Name2-[4-[5-amino-6-(pyridin-3-ylcarbamoyl)pyrazin-2-yl]phenyl]ethyl methanesulfonate
PubChem CID86661489
Molecular FormulaC19H19N5O4S
Molecular Weight413.46 g/mol
Exact Mass413.12
IUPAC Name2-[4-[5-amino-6-(pyridin-3-ylcarbamoyl)pyrazin-2-yl]phenyl]ethyl methanesulfonate
SMILESCS(=O)(=O)OCCc1ccc(-c2cnc(N)c(C(=O)Nc3cccnc3)n2)cc1
InChIInChI=1S/C19H19N5O4S/c1-29(26,27)28-10-8-13-4-6-14(7-5-13)16-12-22-18(20)17(24-16)19(25)23-15-3-2-9-21-11-15/h2-7,9,11-12H,8,10H2,1H3,(H2,20,22)(H,23,25)
InChIKeyITMYUZSYKNXQBX-UHFFFAOYSA-N
XLogP1.89
TPSA137.16 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.46
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

Analyze 2-[4-[5-amino-6-(pyridin-3-ylcarbamoyl)pyrazin-2-yl]phenyl]ethyl methanesulfonate 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

3-amino-6-(4-morpholin-4-ylsulfonylphenyl)-N-pyridin-3-ylpyrazine-2-carboxamide
CID 10297008
3-amino-6-[4-(hydroxymethyl)phenyl]-N-phenylpyrazine-2-carboxamide
CID 59471893
3-amino-6-[4-[3-(4-methylpiperazin-1-yl)propylcarbamoyl]phenyl]-N-pyridin-3-ylpyrazine-2-carboxamide
CID 10277124
3-amino-6-[3-methyl-4-(4-methylpiperazin-1-yl)sulfonylphenyl]-N-pyridin-3-ylpyrazine-2-carboxamide;hydrochloride
CID 10207407
3-amino-6-[4-(2-aminoethyl)phenyl]-N-(4-phenyl-3-pyridinyl)pyrazine-2-carboxamide
CID 167705710
6-(4-acetylphenyl)-3-amino-N-phenylpyrazine-2-carboxamide
CID 59472127
3-amino-N-[2-[2-[4-[5-amino-6-[(6-sulfamoyl-3-pyridinyl)carbamoyl]pyrazin-2-yl]phenyl]ethylsulfonyl]pyrimidin-5-yl]-6-(4-methylphenyl)pyrazine-2-carboxamide
CID 166696548
6-[4-[3-(3-methoxypropylamino)propyl]phenyl]-N-pyridin-3-ylpyrazine-2-carboxamide
CID 141307212
3-amino-6-[4-[2-[4-[5-amino-6-[[4-[[ethyl(methoxy)phosphanyl]methylsulfanyl]phenyl]carbamoyl]pyrazin-2-yl]phenyl]ethyl]phenyl]pyrazine-2-carboxylic acid
CID 166696518
3-amino-6-[4-(methylcarbamoyl)phenyl]-N-phenylpyrazine-2-carboxamide
CID 52937456
3-amino-N-phenyl-6-pyrimidin-5-ylpyrazine-2-carboxamide
CID 59471810
3-amino-6-[4-(dipropylamino)phenyl]-N-phenylpyrazine-2-carboxamide
CID 163610371

Frequently Asked Questions

What is the IUPAC name of 2-[4-[5-amino-6-(pyridin-3-ylcarbamoyl)pyrazin-2-yl]phenyl]ethyl methanesulfonate?
The IUPAC name of 2-[4-[5-amino-6-(pyridin-3-ylcarbamoyl)pyrazin-2-yl]phenyl]ethyl methanesulfonate (CID 86661489) is 2-[4-[5-amino-6-(pyridin-3-ylcarbamoyl)pyrazin-2-yl]phenyl]ethyl methanesulfonate.
What is the SMILES notation for 2-[4-[5-amino-6-(pyridin-3-ylcarbamoyl)pyrazin-2-yl]phenyl]ethyl methanesulfonate?
The canonical SMILES for 2-[4-[5-amino-6-(pyridin-3-ylcarbamoyl)pyrazin-2-yl]phenyl]ethyl methanesulfonate is CS(=O)(=O)OCCc1ccc(-c2cnc(N)c(C(=O)Nc3cccnc3)n2)cc1.
What is the InChIKey of 2-[4-[5-amino-6-(pyridin-3-ylcarbamoyl)pyrazin-2-yl]phenyl]ethyl methanesulfonate?
The InChIKey is ITMYUZSYKNXQBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O4S/c1-29(26,27)28-10-8-13-4-6-14(7-5-13)16-12-22-18(20)17(24-16)19(25)23-15-3-2-9-21-11-15/h2-7,9,11-12H,8,10H2,1H3,(H2,20,22)(H,23,25).
What are the key properties of 2-[4-[5-amino-6-(pyridin-3-ylcarbamoyl)pyrazin-2-yl]phenyl]ethyl methanesulfonate?
2-[4-[5-amino-6-(pyridin-3-ylcarbamoyl)pyrazin-2-yl]phenyl]ethyl methanesulfonate has a molecular weight of 413.46 g/mol, XLogP of 1.89, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[5-amino-6-(pyridin-3-ylcarbamoyl)pyrazin-2-yl]phenyl]ethyl methanesulfonate is sourced from PubChem (CID 86661489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).