3-amino-4-cyano-5-(3-hydroxypiperidin-1-yl)-N,N-dimethylthiophene-2-carboxamide

C13H18N4O2S — CID 103417583

IUPAC3-amino-4-cyano-5-(3-hydroxypiperidin-1-yl)-N,N-dimethylthiophene-2-carboxamide
SMILESCN(C)C(=O)c1sc(N2CCCC(O)C2)c(C#N)c1N
InChIInChI=1S/C13H18N4O2S/c1-16(2)12(19)11-10(15)9(6-14)13(20-11)17-5-3-4-8(18)7-17/h8,18H,3-5,7,15H2,1-2H3
InChIKeyGTFFHZVZYQYCHW-UHFFFAOYSA-N
MW294.38 g/mol
LogP0.86
Rot. Bonds2

About 3-amino-4-cyano-5-(3-hydroxypiperidin-1-yl)-N,N-dimethylthiophene-2-carboxamide

3-amino-4-cyano-5-(3-hydroxypiperidin-1-yl)-N,N-dimethylthiophene-2-carboxamide (PubChem CID 103417583) has the molecular formula C13H18N4O2S and a molecular weight of 294.38 g/mol. Its IUPAC name is 3-amino-4-cyano-5-(3-hydroxypiperidin-1-yl)-N,N-dimethylthiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-4-cyano-5-(3-hydroxypiperidin-1-yl)-N,N-dimethylthiophene-2-carboxamide
PubChem CID103417583
Molecular FormulaC13H18N4O2S
Molecular Weight294.38 g/mol
Exact Mass294.12
IUPAC Name3-amino-4-cyano-5-(3-hydroxypiperidin-1-yl)-N,N-dimethylthiophene-2-carboxamide
SMILESCN(C)C(=O)c1sc(N2CCCC(O)C2)c(C#N)c1N
InChIInChI=1S/C13H18N4O2S/c1-16(2)12(19)11-10(15)9(6-14)13(20-11)17-5-3-4-8(18)7-17/h8,18H,3-5,7,15H2,1-2H3
InChIKeyGTFFHZVZYQYCHW-UHFFFAOYSA-N
XLogP0.86
TPSA93.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-4-cyclopropyl-5-(3-hydroxypiperidin-1-yl)-N,N-dimethylthiophene-2-carboxamide
CID 103417550
3-amino-4-cyano-5-(3-methoxypyrrolidin-1-yl)-N,N-dimethylthiophene-2-carboxamide
CID 103542422
4-amino-2-(3-hydroxypyrrolidin-1-yl)-5-(2-methylpropanoyl)thiophene-3-carbonitrile
CID 103421663
4-amino-5-(cyclopropanecarbonyl)-2-(3-hydroxypyrrolidin-1-yl)thiophene-3-carbonitrile
CID 103421553
3-amino-4-cyano-N-cyclopropyl-5-(3-hydroxypyrrolidin-1-yl)thiophene-2-carboxamide
CID 103421552
3-amino-4-cyano-5-(3-methylpiperidin-1-yl)-N-propylthiophene-2-carboxamide
CID 103419483
3-amino-5-(3-hydroxypyrrolidin-1-yl)-N,N-dimethyl-4-methylsulfanylthiophene-2-carboxamide
CID 103421577
methyl 3-amino-4-cyano-5-(3,4-dimethylpiperidin-1-yl)thiophene-2-carboxylate
CID 103507257
5-acetyl-4-amino-2-(3,4-dihydroxypyrrolidin-1-yl)thiophene-3-carbonitrile
CID 106675006
3-amino-4-cyano-5-[3-(hydroxymethyl)piperidin-1-yl]thiophene-2-carboxamide
CID 103418253
3-amino-4-cyano-N-ethyl-5-(4-hydroxypiperidin-1-yl)thiophene-2-carboxamide
CID 103418581
5-acetyl-4-amino-2-(4-methylazepan-1-yl)thiophene-3-carbonitrile
CID 103422082

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-cyano-5-(3-hydroxypiperidin-1-yl)-N,N-dimethylthiophene-2-carboxamide?
The IUPAC name of 3-amino-4-cyano-5-(3-hydroxypiperidin-1-yl)-N,N-dimethylthiophene-2-carboxamide (CID 103417583) is 3-amino-4-cyano-5-(3-hydroxypiperidin-1-yl)-N,N-dimethylthiophene-2-carboxamide.
What is the SMILES notation for 3-amino-4-cyano-5-(3-hydroxypiperidin-1-yl)-N,N-dimethylthiophene-2-carboxamide?
The canonical SMILES for 3-amino-4-cyano-5-(3-hydroxypiperidin-1-yl)-N,N-dimethylthiophene-2-carboxamide is CN(C)C(=O)c1sc(N2CCCC(O)C2)c(C#N)c1N.
What is the InChIKey of 3-amino-4-cyano-5-(3-hydroxypiperidin-1-yl)-N,N-dimethylthiophene-2-carboxamide?
The InChIKey is GTFFHZVZYQYCHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2S/c1-16(2)12(19)11-10(15)9(6-14)13(20-11)17-5-3-4-8(18)7-17/h8,18H,3-5,7,15H2,1-2H3.
What are the key properties of 3-amino-4-cyano-5-(3-hydroxypiperidin-1-yl)-N,N-dimethylthiophene-2-carboxamide?
3-amino-4-cyano-5-(3-hydroxypiperidin-1-yl)-N,N-dimethylthiophene-2-carboxamide has a molecular weight of 294.38 g/mol, XLogP of 0.86, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-cyano-5-(3-hydroxypiperidin-1-yl)-N,N-dimethylthiophene-2-carboxamide is sourced from PubChem (CID 103417583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).