N-methyl-N-(2-methylsulfonylethyl)-5-(propylamino)pyrazine-2-carboxamide

C12H20N4O3S — CID 107376210

IUPACN-methyl-N-(2-methylsulfonylethyl)-5-(propylamino)pyrazine-2-carboxamide
SMILESCCCNc1cnc(C(=O)N(C)CCS(C)(=O)=O)cn1
InChIInChI=1S/C12H20N4O3S/c1-4-5-13-11-9-14-10(8-15-11)12(17)16(2)6-7-20(3,18)19/h8-9H,4-7H2,1-3H3,(H,13,15)
InChIKeyWJTRHPUVLYUYAD-UHFFFAOYSA-N
MW300.38 g/mol
LogP0.42
Rot. Bonds7

About N-methyl-N-(2-methylsulfonylethyl)-5-(propylamino)pyrazine-2-carboxamide

N-methyl-N-(2-methylsulfonylethyl)-5-(propylamino)pyrazine-2-carboxamide (PubChem CID 107376210) has the molecular formula C12H20N4O3S and a molecular weight of 300.38 g/mol. Its IUPAC name is N-methyl-N-(2-methylsulfonylethyl)-5-(propylamino)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(2-methylsulfonylethyl)-5-(propylamino)pyrazine-2-carboxamide
PubChem CID107376210
Molecular FormulaC12H20N4O3S
Molecular Weight300.38 g/mol
Exact Mass300.13
IUPAC NameN-methyl-N-(2-methylsulfonylethyl)-5-(propylamino)pyrazine-2-carboxamide
SMILESCCCNc1cnc(C(=O)N(C)CCS(C)(=O)=O)cn1
InChIInChI=1S/C12H20N4O3S/c1-4-5-13-11-9-14-10(8-15-11)12(17)16(2)6-7-20(3,18)19/h8-9H,4-7H2,1-3H3,(H,13,15)
InChIKeyWJTRHPUVLYUYAD-UHFFFAOYSA-N
XLogP0.42
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-hydroxypentyl)-N-methyl-5-(propylamino)pyrazine-2-carboxamide
CID 107377361
N-butyl-N-methyl-5-(pentylamino)pyrazine-2-carboxamide
CID 109288114
N-methyl-N-(2-methylsulfonylethyl)-2-(propylamino)pyridine-4-carboxamide
CID 79864167
N-butyl-N-ethyl-5-(propylamino)pyrazine-2-carboxamide
CID 107374046
N-(2-methylpropyl)-N-propan-2-yl-5-(propylamino)pyrazine-2-carboxamide
CID 107375250
N-methyl-N-phenyl-5-(propylamino)pyrazine-2-carboxamide
CID 109271049
N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-(propylamino)pyrazine-2-carboxamide
CID 107374778
N-butyl-N-methyl-5-(2-methylpropylamino)pyrazine-2-carboxamide
CID 109272998
5-(propylamino)-N-(3-sulfamoylpropyl)pyrazine-2-carboxamide
CID 107374837
N-propyl-5-(propylamino)-N-(2,2,2-trifluoroethyl)pyrazine-2-carboxamide
CID 107374760
N-(cyclopropylmethyl)-N-propyl-5-(propylamino)pyrazine-2-carboxamide
CID 107374839
N-cyclohexyl-N-ethyl-5-(propylamino)pyrazine-2-carboxamide
CID 107374221

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-methylsulfonylethyl)-5-(propylamino)pyrazine-2-carboxamide?
The IUPAC name of N-methyl-N-(2-methylsulfonylethyl)-5-(propylamino)pyrazine-2-carboxamide (CID 107376210) is N-methyl-N-(2-methylsulfonylethyl)-5-(propylamino)pyrazine-2-carboxamide.
What is the SMILES notation for N-methyl-N-(2-methylsulfonylethyl)-5-(propylamino)pyrazine-2-carboxamide?
The canonical SMILES for N-methyl-N-(2-methylsulfonylethyl)-5-(propylamino)pyrazine-2-carboxamide is CCCNc1cnc(C(=O)N(C)CCS(C)(=O)=O)cn1.
What is the InChIKey of N-methyl-N-(2-methylsulfonylethyl)-5-(propylamino)pyrazine-2-carboxamide?
The InChIKey is WJTRHPUVLYUYAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O3S/c1-4-5-13-11-9-14-10(8-15-11)12(17)16(2)6-7-20(3,18)19/h8-9H,4-7H2,1-3H3,(H,13,15).
What are the key properties of N-methyl-N-(2-methylsulfonylethyl)-5-(propylamino)pyrazine-2-carboxamide?
N-methyl-N-(2-methylsulfonylethyl)-5-(propylamino)pyrazine-2-carboxamide has a molecular weight of 300.38 g/mol, XLogP of 0.42, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-methylsulfonylethyl)-5-(propylamino)pyrazine-2-carboxamide is sourced from PubChem (CID 107376210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).