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

C26H26N4O4S — CID 59389938

IUPACN-[3-cyano-6-(2-pyridin-3-ylacetyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-3-(2,5-dimethoxyphenyl)propanamide
SMILESCOc1ccc(OC)c(CCC(=O)Nc2sc3c(c2C#N)CCN(C(=O)Cc2cccnc2)C3)c1
InChIInChI=1S/C26H26N4O4S/c1-33-19-6-7-22(34-2)18(13-19)5-8-24(31)29-26-21(14-27)20-9-11-30(16-23(20)35-26)25(32)12-17-4-3-10-28-15-17/h3-4,6-7,10,13,15H,5,8-9,11-12,16H2,1-2H3,(H,29,31)
InChIKeyGPCOCSNMGNWWHV-UHFFFAOYSA-N
MW490.59 g/mol
LogP3.73
Rot. Bonds8

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

N-[3-cyano-6-(2-pyridin-3-ylacetyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-3-(2,5-dimethoxyphenyl)propanamide (PubChem CID 59389938) has the molecular formula C26H26N4O4S and a molecular weight of 490.59 g/mol. Its IUPAC name is N-[3-cyano-6-(2-pyridin-3-ylacetyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-3-(2,5-dimethoxyphenyl)propanamide.

Molecular Properties

Compound NameN-[3-cyano-6-(2-pyridin-3-ylacetyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-3-(2,5-dimethoxyphenyl)propanamide
PubChem CID59389938
Molecular FormulaC26H26N4O4S
Molecular Weight490.59 g/mol
Exact Mass490.17
IUPAC NameN-[3-cyano-6-(2-pyridin-3-ylacetyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-3-(2,5-dimethoxyphenyl)propanamide
SMILESCOc1ccc(OC)c(CCC(=O)Nc2sc3c(c2C#N)CCN(C(=O)Cc2cccnc2)C3)c1
InChIInChI=1S/C26H26N4O4S/c1-33-19-6-7-22(34-2)18(13-19)5-8-24(31)29-26-21(14-27)20-9-11-30(16-23(20)35-26)25(32)12-17-4-3-10-28-15-17/h3-4,6-7,10,13,15H,5,8-9,11-12,16H2,1-2H3,(H,29,31)
InChIKeyGPCOCSNMGNWWHV-UHFFFAOYSA-N
XLogP3.73
TPSA104.55 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.59
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[3-cyano-6-(2-pyridin-3-ylacetyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-3-(2,5-dimethoxyphenyl)propanamide 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-(2-pyridin-3-ylacetyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-3-phenylpropanamide
CID 11961260
2-pyridin-3-ylethyl 3-cyano-2-[3-(2-methoxy-5-methylphenyl)propanoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate
CID 59345902
pyridin-3-ylmethyl 3-cyano-2-[3-(3-methoxyphenyl)propanoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate
CID 11857439
N-[3-cyano-6-(3-pyridin-4-ylpropanoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-3-(3-methoxyphenyl)propanamide
CID 59389861
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
N-[3-cyano-6-(3-pyrimidin-4-ylpropanoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-3-(2-methoxy-5-methylphenyl)propanamide
CID 59389962
3-cyano-2-[3-(2-methoxy-5-methylphenyl)propanoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylic acid
CID 68610147
(3S)-N-[3-cyano-6-(2-pyridin-3-ylacetyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-3-phenylbutanamide
CID 11992196
N-[3-cyano-6-[3-(4-methyl-2-pyridinyl)propanoyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-3-(2-methoxy-5-methylphenyl)propanamide
CID 59389928
(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
2-(3-methoxyphenyl)ethyl 3-cyano-2-(3-pyridin-3-ylprop-2-enoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate
CID 68607688

Frequently Asked Questions

What is the IUPAC name of N-[3-cyano-6-(2-pyridin-3-ylacetyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-3-(2,5-dimethoxyphenyl)propanamide?
The IUPAC name of 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) is N-[3-cyano-6-(2-pyridin-3-ylacetyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-3-(2,5-dimethoxyphenyl)propanamide.
What is the SMILES notation for N-[3-cyano-6-(2-pyridin-3-ylacetyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-3-(2,5-dimethoxyphenyl)propanamide?
The canonical SMILES for N-[3-cyano-6-(2-pyridin-3-ylacetyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-3-(2,5-dimethoxyphenyl)propanamide is COc1ccc(OC)c(CCC(=O)Nc2sc3c(c2C#N)CCN(C(=O)Cc2cccnc2)C3)c1.
What is the InChIKey of N-[3-cyano-6-(2-pyridin-3-ylacetyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-3-(2,5-dimethoxyphenyl)propanamide?
The InChIKey is GPCOCSNMGNWWHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O4S/c1-33-19-6-7-22(34-2)18(13-19)5-8-24(31)29-26-21(14-27)20-9-11-30(16-23(20)35-26)25(32)12-17-4-3-10-28-15-17/h3-4,6-7,10,13,15H,5,8-9,11-12,16H2,1-2H3,(H,29,31).
What are the key properties of N-[3-cyano-6-(2-pyridin-3-ylacetyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-3-(2,5-dimethoxyphenyl)propanamide?
N-[3-cyano-6-(2-pyridin-3-ylacetyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-3-(2,5-dimethoxyphenyl)propanamide has a molecular weight of 490.59 g/mol, XLogP of 3.73, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-cyano-6-(2-pyridin-3-ylacetyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-3-(2,5-dimethoxyphenyl)propanamide is sourced from PubChem (CID 59389938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).