2-amino-6-(3-methylbutanoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile

C13H17N3OS — CID 82098250

IUPAC2-amino-6-(3-methylbutanoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile
SMILESCC(C)CC(=O)N1CCc2c(sc(N)c2C#N)C1
InChIInChI=1S/C13H17N3OS/c1-8(2)5-12(17)16-4-3-9-10(6-14)13(15)18-11(9)7-16/h8H,3-5,7,15H2,1-2H3
InChIKeyXIRYOFGNTHZBCQ-UHFFFAOYSA-N
MW263.37 g/mol
LogP2.13
Rot. Bonds2

About 2-amino-6-(3-methylbutanoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile

2-amino-6-(3-methylbutanoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile (PubChem CID 82098250) has the molecular formula C13H17N3OS and a molecular weight of 263.37 g/mol. Its IUPAC name is 2-amino-6-(3-methylbutanoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-6-(3-methylbutanoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile
PubChem CID82098250
Molecular FormulaC13H17N3OS
Molecular Weight263.37 g/mol
Exact Mass263.11
IUPAC Name2-amino-6-(3-methylbutanoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile
SMILESCC(C)CC(=O)N1CCc2c(sc(N)c2C#N)C1
InChIInChI=1S/C13H17N3OS/c1-8(2)5-12(17)16-4-3-9-10(6-14)13(15)18-11(9)7-16/h8H,3-5,7,15H2,1-2H3
InChIKeyXIRYOFGNTHZBCQ-UHFFFAOYSA-N
XLogP2.13
TPSA70.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-acetyl-2-amino-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile
CID 42281672
2-amino-6-(4-methylbenzoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile
CID 82098256
2-amino-6-(pyridine-4-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile
CID 82098267
2-amino-6-(4-cyano-1-methylpyrrole-2-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile
CID 75383467
2-amino-3-cyano-N-cyclohexyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide
CID 82098264
2-amino-6-tert-butyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile
CID 913228
2-amino-3-cyano-N-(3-methoxyphenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide
CID 127265523
N-(6-acetyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-2-chloroacetamide
CID 71668774
2-amino-6-[2-(2,2,2-trifluoroethoxy)pyridine-3-carbonyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile
CID 99636279
methyl 3-cyano-2-(2-methylpropanoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate
CID 7589093
ethyl 2-[(4-acetylbenzoyl)amino]-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate
CID 3260996
ethyl 3-cyano-2-(3,3-diphenylpropanoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate
CID 43993633

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(3-methylbutanoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile?
The IUPAC name of 2-amino-6-(3-methylbutanoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile (CID 82098250) is 2-amino-6-(3-methylbutanoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-6-(3-methylbutanoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-6-(3-methylbutanoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile is CC(C)CC(=O)N1CCc2c(sc(N)c2C#N)C1.
What is the InChIKey of 2-amino-6-(3-methylbutanoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile?
The InChIKey is XIRYOFGNTHZBCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3OS/c1-8(2)5-12(17)16-4-3-9-10(6-14)13(15)18-11(9)7-16/h8H,3-5,7,15H2,1-2H3.
What are the key properties of 2-amino-6-(3-methylbutanoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile?
2-amino-6-(3-methylbutanoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile has a molecular weight of 263.37 g/mol, XLogP of 2.13, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(3-methylbutanoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile is sourced from PubChem (CID 82098250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).