N-[(3S)-5-methylsulfanyl-2-oxo-1-(pyridine-4-carbonylamino)pentan-3-yl]pyrazine-2-carboxamide

C17H19N5O3S — CID 149109819

IUPACN-[(3S)-5-methylsulfanyl-2-oxo-1-(pyridine-4-carbonylamino)pentan-3-yl]pyrazine-2-carboxamide
SMILESCSCC[C@H](NC(=O)c1cnccn1)C(=O)CNC(=O)c1ccncc1
InChIInChI=1S/C17H19N5O3S/c1-26-9-4-13(22-17(25)14-10-19-7-8-20-14)15(23)11-21-16(24)12-2-5-18-6-3-12/h2-3,5-8,10,13H,4,9,11H2,1H3,(H,21,24)(H,22,25)/t13-/m0/s1
InChIKeyQWQRHSLJRXQFED-ZDUSSCGKSA-N
MW373.44 g/mol
LogP0.72
Rot. Bonds9

About N-[(3S)-5-methylsulfanyl-2-oxo-1-(pyridine-4-carbonylamino)pentan-3-yl]pyrazine-2-carboxamide

N-[(3S)-5-methylsulfanyl-2-oxo-1-(pyridine-4-carbonylamino)pentan-3-yl]pyrazine-2-carboxamide (PubChem CID 149109819) has the molecular formula C17H19N5O3S and a molecular weight of 373.44 g/mol. Its IUPAC name is N-[(3S)-5-methylsulfanyl-2-oxo-1-(pyridine-4-carbonylamino)pentan-3-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[(3S)-5-methylsulfanyl-2-oxo-1-(pyridine-4-carbonylamino)pentan-3-yl]pyrazine-2-carboxamide
PubChem CID149109819
Molecular FormulaC17H19N5O3S
Molecular Weight373.44 g/mol
Exact Mass373.12
IUPAC NameN-[(3S)-5-methylsulfanyl-2-oxo-1-(pyridine-4-carbonylamino)pentan-3-yl]pyrazine-2-carboxamide
SMILESCSCC[C@H](NC(=O)c1cnccn1)C(=O)CNC(=O)c1ccncc1
InChIInChI=1S/C17H19N5O3S/c1-26-9-4-13(22-17(25)14-10-19-7-8-20-14)15(23)11-21-16(24)12-2-5-18-6-3-12/h2-3,5-8,10,13H,4,9,11H2,1H3,(H,21,24)(H,22,25)/t13-/m0/s1
InChIKeyQWQRHSLJRXQFED-ZDUSSCGKSA-N
XLogP0.72
TPSA113.94 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.44
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(2S)-4-methyl-1-oxo-1-[2-(pyridine-4-carbonyl)hydrazinyl]pentan-2-yl]pyrazine-2-carboxamide
CID 146575761
N-(3-methyl-2-oxobutyl)pyrazine-2-carboxamide
CID 103874912
N-[4-methylsulfanyl-1-oxo-1-[2-(pyrazine-2-carbonyl)hydrazinyl]butan-2-yl]furan-2-carboxamide
CID 24618554
N-[1-oxo-3-phenyl-1-[2-(pyridine-4-carbonyl)hydrazinyl]propan-2-yl]pyrazine-2-carboxamide
CID 146576189
N-[(1S)-1-pyridin-4-ylethyl]pyrazine-2-carboxamide
CID 30479888
N-[2-[[(2S)-1-amino-1-oxobutan-2-yl]amino]-2-oxoethyl]pyrazine-2-carboxamide
CID 70297294
(2S)-4-hydroxy-2-(pyrazine-2-carbonylamino)butanoic acid
CID 107822419
2-(pyrazine-2-carbonylamino)hexanoic acid
CID 43388148
(2R)-2-[(3-hydroxypyridine-4-carbonyl)amino]-4-methylsulfanylbutanoic acid
CID 104906495
(2S)-2-(pyrazine-2-carbonylamino)butanedioic acid
CID 112733139
N-[2-[[(1R)-1-hydroxy-3-methylbutyl]amino]-2-oxoethyl]pyrazine-2-carboxamide
CID 144733404
methyl 2-[[2-[(4-methylbenzoyl)amino]acetyl]amino]-4-methylsulfanylbutanoate
CID 51065735

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-5-methylsulfanyl-2-oxo-1-(pyridine-4-carbonylamino)pentan-3-yl]pyrazine-2-carboxamide?
The IUPAC name of N-[(3S)-5-methylsulfanyl-2-oxo-1-(pyridine-4-carbonylamino)pentan-3-yl]pyrazine-2-carboxamide (CID 149109819) is N-[(3S)-5-methylsulfanyl-2-oxo-1-(pyridine-4-carbonylamino)pentan-3-yl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[(3S)-5-methylsulfanyl-2-oxo-1-(pyridine-4-carbonylamino)pentan-3-yl]pyrazine-2-carboxamide?
The canonical SMILES for N-[(3S)-5-methylsulfanyl-2-oxo-1-(pyridine-4-carbonylamino)pentan-3-yl]pyrazine-2-carboxamide is CSCC[C@H](NC(=O)c1cnccn1)C(=O)CNC(=O)c1ccncc1.
What is the InChIKey of N-[(3S)-5-methylsulfanyl-2-oxo-1-(pyridine-4-carbonylamino)pentan-3-yl]pyrazine-2-carboxamide?
The InChIKey is QWQRHSLJRXQFED-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H19N5O3S/c1-26-9-4-13(22-17(25)14-10-19-7-8-20-14)15(23)11-21-16(24)12-2-5-18-6-3-12/h2-3,5-8,10,13H,4,9,11H2,1H3,(H,21,24)(H,22,25)/t13-/m0/s1.
What are the key properties of N-[(3S)-5-methylsulfanyl-2-oxo-1-(pyridine-4-carbonylamino)pentan-3-yl]pyrazine-2-carboxamide?
N-[(3S)-5-methylsulfanyl-2-oxo-1-(pyridine-4-carbonylamino)pentan-3-yl]pyrazine-2-carboxamide has a molecular weight of 373.44 g/mol, XLogP of 0.72, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-5-methylsulfanyl-2-oxo-1-(pyridine-4-carbonylamino)pentan-3-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 149109819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).