N-[3-oxo-3-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)propyl]pyrazine-2-carboxamide

C16H24N6O4S — CID 47074281

IUPACN-[3-oxo-3-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)propyl]pyrazine-2-carboxamide
SMILESO=C(NCCC(=O)N1CCN(S(=O)(=O)N2CCCC2)CC1)c1cnccn1
InChIInChI=1S/C16H24N6O4S/c23-15(3-4-19-16(24)14-13-17-5-6-18-14)20-9-11-22(12-10-20)27(25,26)21-7-1-2-8-21/h5-6,13H,1-4,7-12H2,(H,19,24)
InChIKeyFOMYNLRNKMXMTG-UHFFFAOYSA-N
MW396.47 g/mol
LogP-0.92
Rot. Bonds6

About N-[3-oxo-3-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)propyl]pyrazine-2-carboxamide

N-[3-oxo-3-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)propyl]pyrazine-2-carboxamide (PubChem CID 47074281) has the molecular formula C16H24N6O4S and a molecular weight of 396.47 g/mol. Its IUPAC name is N-[3-oxo-3-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)propyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[3-oxo-3-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)propyl]pyrazine-2-carboxamide
PubChem CID47074281
Molecular FormulaC16H24N6O4S
Molecular Weight396.47 g/mol
Exact Mass396.16
IUPAC NameN-[3-oxo-3-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)propyl]pyrazine-2-carboxamide
SMILESO=C(NCCC(=O)N1CCN(S(=O)(=O)N2CCCC2)CC1)c1cnccn1
InChIInChI=1S/C16H24N6O4S/c23-15(3-4-19-16(24)14-13-17-5-6-18-14)20-9-11-22(12-10-20)27(25,26)21-7-1-2-8-21/h5-6,13H,1-4,7-12H2,(H,19,24)
InChIKeyFOMYNLRNKMXMTG-UHFFFAOYSA-N
XLogP-0.92
TPSA115.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.47
LogP ≤ 5-0.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-oxo-3-(4-phenylpiperidin-1-yl)propyl]pyrazine-2-carboxamide
CID 47841965
N-[2-(4-ethylsulfonylpiperazin-1-yl)ethyl]pyrazine-2-carboxamide
CID 71689715
6-chloro-N-(3-oxo-3-piperidin-1-ylpropyl)pyrazine-2-carboxamide
CID 103187315
N-[(4-piperidin-1-ylsulfonylphenyl)methyl]pyrazine-2-carboxamide
CID 51197502
N-[3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-oxopropyl]pyrazine-2-carboxamide
CID 47782259
N-(2-hydroxyethyl)pyrazine-2-carboxamide
CID 14230272
N-[1-(4-chlorobutanoyl)piperidin-4-yl]pyrazine-2-carboxamide
CID 108562614
N-[3-[[(2R)-1-ethylpyrrolidin-2-yl]methylamino]-3-oxopropyl]pyrazine-2-carboxamide
CID 97265478
N-[2-[[N-methyl-C-(4-pyrimidin-2-ylpiperazin-1-yl)carbonimidoyl]amino]ethyl]pyrazine-2-carboxamide;hydroiodide
CID 119130741
N-(2-morpholin-4-yl-2-oxoethyl)pyrazine-2-carboxamide
CID 110741937
N-[10-(pyrazine-2-carbonylamino)decyl]pyrazine-2-carboxamide
CID 71517100
N-[2-[[(4-acetylpiperazin-1-yl)-(ethylamino)methylidene]amino]ethyl]pyrazine-2-carboxamide;hydroiodide
CID 119115876

Frequently Asked Questions

What is the IUPAC name of N-[3-oxo-3-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)propyl]pyrazine-2-carboxamide?
The IUPAC name of N-[3-oxo-3-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)propyl]pyrazine-2-carboxamide (CID 47074281) is N-[3-oxo-3-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)propyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[3-oxo-3-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)propyl]pyrazine-2-carboxamide?
The canonical SMILES for N-[3-oxo-3-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)propyl]pyrazine-2-carboxamide is O=C(NCCC(=O)N1CCN(S(=O)(=O)N2CCCC2)CC1)c1cnccn1.
What is the InChIKey of N-[3-oxo-3-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)propyl]pyrazine-2-carboxamide?
The InChIKey is FOMYNLRNKMXMTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6O4S/c23-15(3-4-19-16(24)14-13-17-5-6-18-14)20-9-11-22(12-10-20)27(25,26)21-7-1-2-8-21/h5-6,13H,1-4,7-12H2,(H,19,24).
What are the key properties of N-[3-oxo-3-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)propyl]pyrazine-2-carboxamide?
N-[3-oxo-3-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)propyl]pyrazine-2-carboxamide has a molecular weight of 396.47 g/mol, XLogP of -0.92, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-oxo-3-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)propyl]pyrazine-2-carboxamide is sourced from PubChem (CID 47074281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).