N-(3-cyano-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-2-[(3-cyano-6-phenyl-2-pyridinyl)sulfanyl]butanamide

C25H23N5OS2 — CID 23771540

IUPACN-(3-cyano-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-2-[(3-cyano-6-phenyl-2-pyridinyl)sulfanyl]butanamide
SMILESCCC(Sc1nc(-c2ccccc2)ccc1C#N)C(=O)Nc1sc2c(c1C#N)CCN(C)C2
InChIInChI=1S/C25H23N5OS2/c1-3-21(23(31)29-25-19(14-27)18-11-12-30(2)15-22(18)33-25)32-24-17(13-26)9-10-20(28-24)16-7-5-4-6-8-16/h4-10,21H,3,11-12,15H2,1-2H3,(H,29,31)
InChIKeyLDXAAKMPENPYOS-UHFFFAOYSA-N
MW473.63 g/mol
LogP5.05
Rot. Bonds6

About N-(3-cyano-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-2-[(3-cyano-6-phenyl-2-pyridinyl)sulfanyl]butanamide

N-(3-cyano-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-2-[(3-cyano-6-phenyl-2-pyridinyl)sulfanyl]butanamide (PubChem CID 23771540) has the molecular formula C25H23N5OS2 and a molecular weight of 473.63 g/mol. Its IUPAC name is N-(3-cyano-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-2-[(3-cyano-6-phenyl-2-pyridinyl)sulfanyl]butanamide.

Molecular Properties

Compound NameN-(3-cyano-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-2-[(3-cyano-6-phenyl-2-pyridinyl)sulfanyl]butanamide
PubChem CID23771540
Molecular FormulaC25H23N5OS2
Molecular Weight473.63 g/mol
Exact Mass473.13
IUPAC NameN-(3-cyano-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-2-[(3-cyano-6-phenyl-2-pyridinyl)sulfanyl]butanamide
SMILESCCC(Sc1nc(-c2ccccc2)ccc1C#N)C(=O)Nc1sc2c(c1C#N)CCN(C)C2
InChIInChI=1S/C25H23N5OS2/c1-3-21(23(31)29-25-19(14-27)18-11-12-30(2)15-22(18)33-25)32-24-17(13-26)9-10-20(28-24)16-7-5-4-6-8-16/h4-10,21H,3,11-12,15H2,1-2H3,(H,29,31)
InChIKeyLDXAAKMPENPYOS-UHFFFAOYSA-N
XLogP5.05
TPSA92.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.63
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(3-cyano-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-2-[(3-cyano-6-phenyl-2-pyridinyl)sulfanyl]butanamide 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

2-[(6-amino-3,5-dicyano-4-phenyl-2-pyridinyl)sulfanyl]-N-(3-cyano-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)butanamide
CID 23742417
N-(3-cyano-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-2-[(5-ethyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]butanamide
CID 23857931
2-[(3-cyano-6-phenyl-2-pyridinyl)sulfanyl]-N-(4-phenyl-1,3-thiazol-2-yl)butanamide
CID 23742412
(2R)-2-(1,3-benzothiazol-2-ylsulfanyl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)butanamide
CID 7046286
(2S)-2-(1,3-benzothiazol-2-ylsulfanyl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)butanamide
CID 7046285
N-(6-acetyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-2-(3-aminophenyl)sulfanylbutanamide
CID 18894614
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(4-methylquinolin-2-yl)sulfanylbutanamide
CID 46301909
N-(3-cyano-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-3-phenoxypropanamide
CID 3486189
N-(6-benzyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-2-[3-(phenylcarbamothioylamino)phenyl]sulfanylbutanamide
CID 19317473
N-(3-cyano-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)furan-2-carboxamide
CID 3251021
2-(4-aminophenyl)sulfanyl-N-(3-cyano-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)butanamide
CID 22782159
N-(6-benzyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-2-chloropropanamide
CID 71300009

Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-2-[(3-cyano-6-phenyl-2-pyridinyl)sulfanyl]butanamide?
The IUPAC name of N-(3-cyano-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-2-[(3-cyano-6-phenyl-2-pyridinyl)sulfanyl]butanamide (CID 23771540) is N-(3-cyano-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-2-[(3-cyano-6-phenyl-2-pyridinyl)sulfanyl]butanamide.
What is the SMILES notation for N-(3-cyano-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-2-[(3-cyano-6-phenyl-2-pyridinyl)sulfanyl]butanamide?
The canonical SMILES for N-(3-cyano-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-2-[(3-cyano-6-phenyl-2-pyridinyl)sulfanyl]butanamide is CCC(Sc1nc(-c2ccccc2)ccc1C#N)C(=O)Nc1sc2c(c1C#N)CCN(C)C2.
What is the InChIKey of N-(3-cyano-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-2-[(3-cyano-6-phenyl-2-pyridinyl)sulfanyl]butanamide?
The InChIKey is LDXAAKMPENPYOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5OS2/c1-3-21(23(31)29-25-19(14-27)18-11-12-30(2)15-22(18)33-25)32-24-17(13-26)9-10-20(28-24)16-7-5-4-6-8-16/h4-10,21H,3,11-12,15H2,1-2H3,(H,29,31).
What are the key properties of N-(3-cyano-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-2-[(3-cyano-6-phenyl-2-pyridinyl)sulfanyl]butanamide?
N-(3-cyano-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-2-[(3-cyano-6-phenyl-2-pyridinyl)sulfanyl]butanamide has a molecular weight of 473.63 g/mol, XLogP of 5.05, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-2-[(3-cyano-6-phenyl-2-pyridinyl)sulfanyl]butanamide is sourced from PubChem (CID 23771540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).