(3S)-N-[3-cyano-6-(2-pyridin-3-ylacetyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-3-phenylbutanamide

C25H24N4O2S — CID 11992196

IUPAC(3S)-N-[3-cyano-6-(2-pyridin-3-ylacetyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-3-phenylbutanamide
SMILESC[C@@H](CC(=O)Nc1sc2c(c1C#N)CCN(C(=O)Cc1cccnc1)C2)c1ccccc1
InChIInChI=1S/C25H24N4O2S/c1-17(19-7-3-2-4-8-19)12-23(30)28-25-21(14-26)20-9-11-29(16-22(20)32-25)24(31)13-18-6-5-10-27-15-18/h2-8,10,15,17H,9,11-13,16H2,1H3,(H,28,30)/t17-/m0/s1
InChIKeyLXHXMTKTMVBJIS-KRWDZBQOSA-N
MW444.56 g/mol
LogP4.27
Rot. Bonds6

About (3S)-N-[3-cyano-6-(2-pyridin-3-ylacetyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-3-phenylbutanamide

(3S)-N-[3-cyano-6-(2-pyridin-3-ylacetyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-3-phenylbutanamide (PubChem CID 11992196) has the molecular formula C25H24N4O2S and a molecular weight of 444.56 g/mol. Its IUPAC name is (3S)-N-[3-cyano-6-(2-pyridin-3-ylacetyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-3-phenylbutanamide.

Molecular Properties

Compound Name(3S)-N-[3-cyano-6-(2-pyridin-3-ylacetyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-3-phenylbutanamide
PubChem CID11992196
Molecular FormulaC25H24N4O2S
Molecular Weight444.56 g/mol
Exact Mass444.16
IUPAC Name(3S)-N-[3-cyano-6-(2-pyridin-3-ylacetyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-3-phenylbutanamide
SMILESC[C@@H](CC(=O)Nc1sc2c(c1C#N)CCN(C(=O)Cc1cccnc1)C2)c1ccccc1
InChIInChI=1S/C25H24N4O2S/c1-17(19-7-3-2-4-8-19)12-23(30)28-25-21(14-26)20-9-11-29(16-22(20)32-25)24(31)13-18-6-5-10-27-15-18/h2-8,10,15,17H,9,11-13,16H2,1H3,(H,28,30)/t17-/m0/s1
InChIKeyLXHXMTKTMVBJIS-KRWDZBQOSA-N
XLogP4.27
TPSA86.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.56
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3S)-N-[3-cyano-6-(2-pyridin-3-ylacetyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-3-phenylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-cyano-6-(3-pyridin-3-ylpropanoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-3-phenylbutanamide
CID 59301579
N-[3-cyano-6-(2-pyridin-3-ylacetyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-3-phenylpropanamide
CID 11961260
(3R)-N-[3-cyano-6-(3-pyridin-2-ylpropanoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-3-phenylbutanamide
CID 11993445
(3R)-N-[3-cyano-6-[2-(2,4-dimethylimidazol-1-yl)acetyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-3-phenylbutanamide
CID 11993349
(E)-N-[3-cyano-6-(2-pyridin-3-ylacetyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-3-pyridin-3-ylprop-2-enamide
CID 59306441
(Z)-but-2-enedioic acid;N-[3-cyano-6-(3-pyridin-3-ylpropanoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-3-phenylpropanamide
CID 68635879
N-[3-cyano-6-(2-pyridin-3-ylacetyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-3-(2,5-dimethoxyphenyl)propanamide
CID 59389938
2-(2-methylimidazol-1-yl)ethyl 3-cyano-2-(3-phenylbutanoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate
CID 11547448
N-[3-cyano-6-(2-pyridin-3-ylacetyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-3-(2-methoxyphenyl)prop-2-enamide
CID 68609631
ethyl 3-cyano-2-(3,3-diphenylpropanoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate
CID 43993633
pyridin-3-ylmethyl 3-cyano-2-[3-(2-methoxy-5-methylphenyl)butanoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate
CID 59345827
N-[3-cyano-6-(2-imidazol-1-ylacetyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-3-(3-ethoxyphenyl)butanamide
CID 59389851

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[3-cyano-6-(2-pyridin-3-ylacetyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-3-phenylbutanamide?
The IUPAC name of (3S)-N-[3-cyano-6-(2-pyridin-3-ylacetyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-3-phenylbutanamide (CID 11992196) is (3S)-N-[3-cyano-6-(2-pyridin-3-ylacetyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-3-phenylbutanamide.
What is the SMILES notation for (3S)-N-[3-cyano-6-(2-pyridin-3-ylacetyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-3-phenylbutanamide?
The canonical SMILES for (3S)-N-[3-cyano-6-(2-pyridin-3-ylacetyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-3-phenylbutanamide is C[C@@H](CC(=O)Nc1sc2c(c1C#N)CCN(C(=O)Cc1cccnc1)C2)c1ccccc1.
What is the InChIKey of (3S)-N-[3-cyano-6-(2-pyridin-3-ylacetyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-3-phenylbutanamide?
The InChIKey is LXHXMTKTMVBJIS-KRWDZBQOSA-N. The full InChI is InChI=1S/C25H24N4O2S/c1-17(19-7-3-2-4-8-19)12-23(30)28-25-21(14-26)20-9-11-29(16-22(20)32-25)24(31)13-18-6-5-10-27-15-18/h2-8,10,15,17H,9,11-13,16H2,1H3,(H,28,30)/t17-/m0/s1.
What are the key properties of (3S)-N-[3-cyano-6-(2-pyridin-3-ylacetyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-3-phenylbutanamide?
(3S)-N-[3-cyano-6-(2-pyridin-3-ylacetyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-3-phenylbutanamide has a molecular weight of 444.56 g/mol, XLogP of 4.27, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[3-cyano-6-(2-pyridin-3-ylacetyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-3-phenylbutanamide is sourced from PubChem (CID 11992196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).