N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-hydroxypropyl]-3-phenylpyrrolidine-1-carboxamide

C21H27N3O2S — CID 142428354

IUPACN-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-hydroxypropyl]-3-phenylpyrrolidine-1-carboxamide
SMILESO=C(NCC(O)CN1CCc2sccc2C1)N1CCC(c2ccccc2)C1
InChIInChI=1S/C21H27N3O2S/c25-19(15-23-9-7-20-18(13-23)8-11-27-20)12-22-21(26)24-10-6-17(14-24)16-4-2-1-3-5-16/h1-5,8,11,17,19,25H,6-7,9-10,12-15H2,(H,22,26)
InChIKeyPMSORMKHUSIARZ-UHFFFAOYSA-N
MW385.53 g/mol
LogP2.67
Rot. Bonds5

About N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-hydroxypropyl]-3-phenylpyrrolidine-1-carboxamide

N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-hydroxypropyl]-3-phenylpyrrolidine-1-carboxamide (PubChem CID 142428354) has the molecular formula C21H27N3O2S and a molecular weight of 385.53 g/mol. Its IUPAC name is N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-hydroxypropyl]-3-phenylpyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-hydroxypropyl]-3-phenylpyrrolidine-1-carboxamide
PubChem CID142428354
Molecular FormulaC21H27N3O2S
Molecular Weight385.53 g/mol
Exact Mass385.18
IUPAC NameN-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-hydroxypropyl]-3-phenylpyrrolidine-1-carboxamide
SMILESO=C(NCC(O)CN1CCc2sccc2C1)N1CCC(c2ccccc2)C1
InChIInChI=1S/C21H27N3O2S/c25-19(15-23-9-7-20-18(13-23)8-11-27-20)12-22-21(26)24-10-6-17(14-24)16-4-2-1-3-5-16/h1-5,8,11,17,19,25H,6-7,9-10,12-15H2,(H,22,26)
InChIKeyPMSORMKHUSIARZ-UHFFFAOYSA-N
XLogP2.67
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.53
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-hydroxypropyl]-3-phenylpyrrolidine-1-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-hydroxypropyl]-3-phenylpyrrolidine-1-carboxamide?
The IUPAC name of N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-hydroxypropyl]-3-phenylpyrrolidine-1-carboxamide (CID 142428354) is N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-hydroxypropyl]-3-phenylpyrrolidine-1-carboxamide.
What is the SMILES notation for N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-hydroxypropyl]-3-phenylpyrrolidine-1-carboxamide?
The canonical SMILES for N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-hydroxypropyl]-3-phenylpyrrolidine-1-carboxamide is O=C(NCC(O)CN1CCc2sccc2C1)N1CCC(c2ccccc2)C1.
What is the InChIKey of N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-hydroxypropyl]-3-phenylpyrrolidine-1-carboxamide?
The InChIKey is PMSORMKHUSIARZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2S/c25-19(15-23-9-7-20-18(13-23)8-11-27-20)12-22-21(26)24-10-6-17(14-24)16-4-2-1-3-5-16/h1-5,8,11,17,19,25H,6-7,9-10,12-15H2,(H,22,26).
What are the key properties of N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-hydroxypropyl]-3-phenylpyrrolidine-1-carboxamide?
N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-hydroxypropyl]-3-phenylpyrrolidine-1-carboxamide has a molecular weight of 385.53 g/mol, XLogP of 2.67, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-hydroxypropyl]-3-phenylpyrrolidine-1-carboxamide is sourced from PubChem (CID 142428354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).