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

C17H19N3S — CID 23853602

IUPAC2-amino-7-methyl-5-(2-phenylethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-3-carbonitrile
SMILESCC1CN(CCc2ccccc2)Cc2c1sc(N)c2C#N
InChIInChI=1S/C17H19N3S/c1-12-10-20(8-7-13-5-3-2-4-6-13)11-15-14(9-18)17(19)21-16(12)15/h2-6,12H,7-8,10-11,19H2,1H3
InChIKeyRTJHOLYBRVXDDD-UHFFFAOYSA-N
MW297.43 g/mol
LogP3.36
Rot. Bonds3

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

2-amino-7-methyl-5-(2-phenylethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-3-carbonitrile (PubChem CID 23853602) has the molecular formula C17H19N3S and a molecular weight of 297.43 g/mol. Its IUPAC name is 2-amino-7-methyl-5-(2-phenylethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-7-methyl-5-(2-phenylethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-3-carbonitrile
PubChem CID23853602
Molecular FormulaC17H19N3S
Molecular Weight297.43 g/mol
Exact Mass297.13
IUPAC Name2-amino-7-methyl-5-(2-phenylethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-3-carbonitrile
SMILESCC1CN(CCc2ccccc2)Cc2c1sc(N)c2C#N
InChIInChI=1S/C17H19N3S/c1-12-10-20(8-7-13-5-3-2-4-6-13)11-15-14(9-18)17(19)21-16(12)15/h2-6,12H,7-8,10-11,19H2,1H3
InChIKeyRTJHOLYBRVXDDD-UHFFFAOYSA-N
XLogP3.36
TPSA53.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.43
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-7-methyl-5-(2-phenylethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-3-carbonitrile?
The IUPAC name of 2-amino-7-methyl-5-(2-phenylethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-3-carbonitrile (CID 23853602) is 2-amino-7-methyl-5-(2-phenylethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-7-methyl-5-(2-phenylethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-7-methyl-5-(2-phenylethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-3-carbonitrile is CC1CN(CCc2ccccc2)Cc2c1sc(N)c2C#N.
What is the InChIKey of 2-amino-7-methyl-5-(2-phenylethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-3-carbonitrile?
The InChIKey is RTJHOLYBRVXDDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3S/c1-12-10-20(8-7-13-5-3-2-4-6-13)11-15-14(9-18)17(19)21-16(12)15/h2-6,12H,7-8,10-11,19H2,1H3.
What are the key properties of 2-amino-7-methyl-5-(2-phenylethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-3-carbonitrile?
2-amino-7-methyl-5-(2-phenylethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-3-carbonitrile has a molecular weight of 297.43 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-7-methyl-5-(2-phenylethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-3-carbonitrile is sourced from PubChem (CID 23853602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).