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

C16H15N3OS — CID 82098256

IUPAC2-amino-6-(4-methylbenzoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile
SMILESCc1ccc(C(=O)N2CCc3c(sc(N)c3C#N)C2)cc1
InChIInChI=1S/C16H15N3OS/c1-10-2-4-11(5-3-10)16(20)19-7-6-12-13(8-17)15(18)21-14(12)9-19/h2-5H,6-7,9,18H2,1H3
InChIKeyWAMCUUIPNFGGKL-UHFFFAOYSA-N
MW297.38 g/mol
LogP2.71
Rot. Bonds1

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

2-amino-6-(4-methylbenzoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile (PubChem CID 82098256) has the molecular formula C16H15N3OS and a molecular weight of 297.38 g/mol. Its IUPAC name is 2-amino-6-(4-methylbenzoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-6-(4-methylbenzoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile
PubChem CID82098256
Molecular FormulaC16H15N3OS
Molecular Weight297.38 g/mol
Exact Mass297.09
IUPAC Name2-amino-6-(4-methylbenzoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile
SMILESCc1ccc(C(=O)N2CCc3c(sc(N)c3C#N)C2)cc1
InChIInChI=1S/C16H15N3OS/c1-10-2-4-11(5-3-10)16(20)19-7-6-12-13(8-17)15(18)21-14(12)9-19/h2-5H,6-7,9,18H2,1H3
InChIKeyWAMCUUIPNFGGKL-UHFFFAOYSA-N
XLogP2.71
TPSA70.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(4-methylbenzoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile?
The IUPAC name of 2-amino-6-(4-methylbenzoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile (CID 82098256) is 2-amino-6-(4-methylbenzoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-6-(4-methylbenzoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-6-(4-methylbenzoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile is Cc1ccc(C(=O)N2CCc3c(sc(N)c3C#N)C2)cc1.
What is the InChIKey of 2-amino-6-(4-methylbenzoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile?
The InChIKey is WAMCUUIPNFGGKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3OS/c1-10-2-4-11(5-3-10)16(20)19-7-6-12-13(8-17)15(18)21-14(12)9-19/h2-5H,6-7,9,18H2,1H3.
What are the key properties of 2-amino-6-(4-methylbenzoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile?
2-amino-6-(4-methylbenzoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile has a molecular weight of 297.38 g/mol, XLogP of 2.71, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(4-methylbenzoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile is sourced from PubChem (CID 82098256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).