4-ethyl-N-(3-pyrrol-1-ylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide

C20H21N3OS — CID 56583833

IUPAC4-ethyl-N-(3-pyrrol-1-ylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
SMILESCCC1c2ccsc2CCN1C(=O)Nc1cccc(-n2cccc2)c1
InChIInChI=1S/C20H21N3OS/c1-2-18-17-9-13-25-19(17)8-12-23(18)20(24)21-15-6-5-7-16(14-15)22-10-3-4-11-22/h3-7,9-11,13-14,18H,2,8,12H2,1H3,(H,21,24)
InChIKeyLQGQATZPXUMTGI-UHFFFAOYSA-N
MW351.48 g/mol
LogP5.08
Rot. Bonds3

About 4-ethyl-N-(3-pyrrol-1-ylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide

4-ethyl-N-(3-pyrrol-1-ylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide (PubChem CID 56583833) has the molecular formula C20H21N3OS and a molecular weight of 351.48 g/mol. Its IUPAC name is 4-ethyl-N-(3-pyrrol-1-ylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide.

Molecular Properties

Compound Name4-ethyl-N-(3-pyrrol-1-ylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
PubChem CID56583833
Molecular FormulaC20H21N3OS
Molecular Weight351.48 g/mol
Exact Mass351.14
IUPAC Name4-ethyl-N-(3-pyrrol-1-ylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
SMILESCCC1c2ccsc2CCN1C(=O)Nc1cccc(-n2cccc2)c1
InChIInChI=1S/C20H21N3OS/c1-2-18-17-9-13-25-19(17)8-12-23(18)20(24)21-15-6-5-7-16(14-15)22-10-3-4-11-22/h3-7,9-11,13-14,18H,2,8,12H2,1H3,(H,21,24)
InChIKeyLQGQATZPXUMTGI-UHFFFAOYSA-N
XLogP5.08
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.48
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-ethyl-N-(3-pyrrol-1-ylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide 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

4-ethyl-N-(4-propylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 112824907
(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-(3-fluorophenyl)methanone
CID 18093063
(4R)-4-ethyl-N-(4-methyl-3-oxopyrazin-2-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 124616346
N-(1,3-benzothiazol-2-yl)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 71898973
(4R)-N-(1,3-benzothiazol-2-yl)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 38280106
methyl 5-[(3-methylphenyl)carbamoyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylate
CID 121130833
4-ethyl-N-[2-(2-methoxyethoxy)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 47493448
N-[4-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]phenyl]-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 56566617
1-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(methylamino)ethanone;hydrochloride
CID 119731903
3-amino-1-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-one;hydrochloride
CID 119294012
(3,5-diaminophenyl)-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 61107490
4-ethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 47760186

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-(3-pyrrol-1-ylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide?
The IUPAC name of 4-ethyl-N-(3-pyrrol-1-ylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide (CID 56583833) is 4-ethyl-N-(3-pyrrol-1-ylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide.
What is the SMILES notation for 4-ethyl-N-(3-pyrrol-1-ylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide?
The canonical SMILES for 4-ethyl-N-(3-pyrrol-1-ylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide is CCC1c2ccsc2CCN1C(=O)Nc1cccc(-n2cccc2)c1.
What is the InChIKey of 4-ethyl-N-(3-pyrrol-1-ylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide?
The InChIKey is LQGQATZPXUMTGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3OS/c1-2-18-17-9-13-25-19(17)8-12-23(18)20(24)21-15-6-5-7-16(14-15)22-10-3-4-11-22/h3-7,9-11,13-14,18H,2,8,12H2,1H3,(H,21,24).
What are the key properties of 4-ethyl-N-(3-pyrrol-1-ylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide?
4-ethyl-N-(3-pyrrol-1-ylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide has a molecular weight of 351.48 g/mol, XLogP of 5.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-(3-pyrrol-1-ylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide is sourced from PubChem (CID 56583833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).