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

C22H19N3OS — CID 118735965

IUPAC6-benzoyl-2-(benzylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile
SMILESN#Cc1c(NCc2ccccc2)sc2c1CCN(C(=O)c1ccccc1)C2
InChIInChI=1S/C22H19N3OS/c23-13-19-18-11-12-25(22(26)17-9-5-2-6-10-17)15-20(18)27-21(19)24-14-16-7-3-1-4-8-16/h1-10,24H,11-12,14-15H2
InChIKeyNJDUMSNDBSSLHK-UHFFFAOYSA-N
MW373.48 g/mol
LogP4.43
Rot. Bonds4

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

6-benzoyl-2-(benzylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile (PubChem CID 118735965) has the molecular formula C22H19N3OS and a molecular weight of 373.48 g/mol. Its IUPAC name is 6-benzoyl-2-(benzylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-benzoyl-2-(benzylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile
PubChem CID118735965
Molecular FormulaC22H19N3OS
Molecular Weight373.48 g/mol
Exact Mass373.12
IUPAC Name6-benzoyl-2-(benzylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile
SMILESN#Cc1c(NCc2ccccc2)sc2c1CCN(C(=O)c1ccccc1)C2
InChIInChI=1S/C22H19N3OS/c23-13-19-18-11-12-25(22(26)17-9-5-2-6-10-17)15-20(18)27-21(19)24-14-16-7-3-1-4-8-16/h1-10,24H,11-12,14-15H2
InChIKeyNJDUMSNDBSSLHK-UHFFFAOYSA-N
XLogP4.43
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-2-fluorobenzamide
CID 766948
JNK inhibitor IX
CID 766949
N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)benzamide
CID 755421
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-phenylacetamide
CID 684674
N-(6-acetyl-3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-2-(4-fluorophenyl)acetamide
CID 7597271
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-fluorobenzamide
CID 579429
N-{3-[(diethylamino)methyl]-4,5-dimethylthiophen-2-yl}benzamide
CID 833802
N-[(3-cyano-6-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)carbamothioyl]benzamide
CID 1130140
N-[(3-cyano-5,5,6-trimethyl-4,7-dihydrothieno[2,3-c]pyridin-2-yl)carbamothioyl]benzamide
CID 1208225
N-(3-cyano-5-methyl-4-phenylthien-2-yl)-3-methylbenzamide
CID 1225299
N-{4,5-dimethyl-3-[(2-methyl-1-piperidinyl)methyl]-2-thienyl}-2-fluorobenzamide
CID 4395058
2-(benzylamino)-6-(4-fluorobenzoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile
CID 118735966

Frequently Asked Questions

What is the IUPAC name of 6-benzoyl-2-(benzylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile?
The IUPAC name of 6-benzoyl-2-(benzylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile (CID 118735965) is 6-benzoyl-2-(benzylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile.
What is the SMILES notation for 6-benzoyl-2-(benzylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile?
The canonical SMILES for 6-benzoyl-2-(benzylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile is N#Cc1c(NCc2ccccc2)sc2c1CCN(C(=O)c1ccccc1)C2.
What is the InChIKey of 6-benzoyl-2-(benzylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile?
The InChIKey is NJDUMSNDBSSLHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3OS/c23-13-19-18-11-12-25(22(26)17-9-5-2-6-10-17)15-20(18)27-21(19)24-14-16-7-3-1-4-8-16/h1-10,24H,11-12,14-15H2.
What are the key properties of 6-benzoyl-2-(benzylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile?
6-benzoyl-2-(benzylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile has a molecular weight of 373.48 g/mol, XLogP of 4.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzoyl-2-(benzylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile is sourced from PubChem (CID 118735965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).