5-[[[(3S)-1-(4-methyl-3-oxopyrazin-2-yl)piperidin-3-yl]amino]methyl]thiophene-3-carbonitrile

C16H19N5OS — CID 129343150

IUPAC5-[[[(3S)-1-(4-methyl-3-oxopyrazin-2-yl)piperidin-3-yl]amino]methyl]thiophene-3-carbonitrile
SMILESCn1ccnc(N2CCC[C@H](NCc3cc(C#N)cs3)C2)c1=O
InChIInChI=1S/C16H19N5OS/c1-20-6-4-18-15(16(20)22)21-5-2-3-13(10-21)19-9-14-7-12(8-17)11-23-14/h4,6-7,11,13,19H,2-3,5,9-10H2,1H3/t13-/m0/s1
InChIKeyVZJPRYGSDUWGJU-ZDUSSCGKSA-N
MW329.43 g/mol
LogP1.47
Rot. Bonds4

About 5-[[[(3S)-1-(4-methyl-3-oxopyrazin-2-yl)piperidin-3-yl]amino]methyl]thiophene-3-carbonitrile

5-[[[(3S)-1-(4-methyl-3-oxopyrazin-2-yl)piperidin-3-yl]amino]methyl]thiophene-3-carbonitrile (PubChem CID 129343150) has the molecular formula C16H19N5OS and a molecular weight of 329.43 g/mol. Its IUPAC name is 5-[[[(3S)-1-(4-methyl-3-oxopyrazin-2-yl)piperidin-3-yl]amino]methyl]thiophene-3-carbonitrile.

Molecular Properties

Compound Name5-[[[(3S)-1-(4-methyl-3-oxopyrazin-2-yl)piperidin-3-yl]amino]methyl]thiophene-3-carbonitrile
PubChem CID129343150
Molecular FormulaC16H19N5OS
Molecular Weight329.43 g/mol
Exact Mass329.13
IUPAC Name5-[[[(3S)-1-(4-methyl-3-oxopyrazin-2-yl)piperidin-3-yl]amino]methyl]thiophene-3-carbonitrile
SMILESCn1ccnc(N2CCC[C@H](NCc3cc(C#N)cs3)C2)c1=O
InChIInChI=1S/C16H19N5OS/c1-20-6-4-18-15(16(20)22)21-5-2-3-13(10-21)19-9-14-7-12(8-17)11-23-14/h4,6-7,11,13,19H,2-3,5,9-10H2,1H3/t13-/m0/s1
InChIKeyVZJPRYGSDUWGJU-ZDUSSCGKSA-N
XLogP1.47
TPSA73.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.43
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-[(3S)-3-[(5-ethylfuran-2-yl)methylamino]piperidin-1-yl]-1-methylpyrazin-2-one
CID 129343468
1-methyl-3-[(3S)-3-[(5-propan-2-yl-1,3-thiazol-2-yl)methylamino]piperidin-1-yl]pyrazin-2-one
CID 129338112
1-methyl-3-[(3S)-3-[(5-methyl-1H-pyrazol-4-yl)methylamino]piperidin-1-yl]pyrazin-2-one
CID 129344132
1-methyl-3-[(3S)-3-[(8-methylimidazo[1,2-a]pyridin-3-yl)methylamino]piperidin-1-yl]pyrazin-2-one
CID 129342215
3-[(3S)-3-[(7-methoxy-1,3-benzodioxol-5-yl)methylamino]piperidin-1-yl]-1-methylpyrazin-2-one
CID 129473045
3-[(3R)-3-[[(2R)-1-methoxypropan-2-yl]amino]piperidin-1-yl]-1-methylpyrazin-2-one
CID 129475575
3-(3-hydroxypiperidin-1-yl)-1-methylpyrazin-2-one
CID 62940622
N-[1-(4-methyl-3-oxopyrazin-2-yl)piperidin-3-yl]-1,3-thiazole-4-carboxamide
CID 128967028
3-[(3R)-3-aminopiperidin-1-yl]-1-methylpyrazin-2-one
CID 94896992
3-[(3S)-3-[[(1S,6S)-2,6-dimethylcyclohex-2-en-1-yl]methylamino]piperidin-1-yl]-1-methylpyrazin-2-one
CID 129474458
3-[(3S)-3-[(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]-1-methylpyrazin-2-one
CID 129476201
3-[3-[[(E)-3-(4-fluorophenyl)prop-2-enyl]amino]piperidin-1-yl]-1-methylpyrazin-2-one
CID 128965839

Frequently Asked Questions

What is the IUPAC name of 5-[[[(3S)-1-(4-methyl-3-oxopyrazin-2-yl)piperidin-3-yl]amino]methyl]thiophene-3-carbonitrile?
The IUPAC name of 5-[[[(3S)-1-(4-methyl-3-oxopyrazin-2-yl)piperidin-3-yl]amino]methyl]thiophene-3-carbonitrile (CID 129343150) is 5-[[[(3S)-1-(4-methyl-3-oxopyrazin-2-yl)piperidin-3-yl]amino]methyl]thiophene-3-carbonitrile.
What is the SMILES notation for 5-[[[(3S)-1-(4-methyl-3-oxopyrazin-2-yl)piperidin-3-yl]amino]methyl]thiophene-3-carbonitrile?
The canonical SMILES for 5-[[[(3S)-1-(4-methyl-3-oxopyrazin-2-yl)piperidin-3-yl]amino]methyl]thiophene-3-carbonitrile is Cn1ccnc(N2CCC[C@H](NCc3cc(C#N)cs3)C2)c1=O.
What is the InChIKey of 5-[[[(3S)-1-(4-methyl-3-oxopyrazin-2-yl)piperidin-3-yl]amino]methyl]thiophene-3-carbonitrile?
The InChIKey is VZJPRYGSDUWGJU-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H19N5OS/c1-20-6-4-18-15(16(20)22)21-5-2-3-13(10-21)19-9-14-7-12(8-17)11-23-14/h4,6-7,11,13,19H,2-3,5,9-10H2,1H3/t13-/m0/s1.
What are the key properties of 5-[[[(3S)-1-(4-methyl-3-oxopyrazin-2-yl)piperidin-3-yl]amino]methyl]thiophene-3-carbonitrile?
5-[[[(3S)-1-(4-methyl-3-oxopyrazin-2-yl)piperidin-3-yl]amino]methyl]thiophene-3-carbonitrile has a molecular weight of 329.43 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[(3S)-1-(4-methyl-3-oxopyrazin-2-yl)piperidin-3-yl]amino]methyl]thiophene-3-carbonitrile is sourced from PubChem (CID 129343150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).