5-[3-(3-fluoroanilino)-3-oxopropyl]-N,N-dimethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide

C19H22FN3O2S — CID 91830161

IUPAC5-[3-(3-fluoroanilino)-3-oxopropyl]-N,N-dimethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide
SMILESCN(C)C(=O)c1cc2c(s1)CCN(CCC(=O)Nc1cccc(F)c1)C2
InChIInChI=1S/C19H22FN3O2S/c1-22(2)19(25)17-10-13-12-23(8-6-16(13)26-17)9-7-18(24)21-15-5-3-4-14(20)11-15/h3-5,10-11H,6-9,12H2,1-2H3,(H,21,24)
InChIKeyRBOLSQIHHZQRMQ-UHFFFAOYSA-N
MW375.47 g/mol
LogP2.98
Rot. Bonds5

About 5-[3-(3-fluoroanilino)-3-oxopropyl]-N,N-dimethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide

5-[3-(3-fluoroanilino)-3-oxopropyl]-N,N-dimethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide (PubChem CID 91830161) has the molecular formula C19H22FN3O2S and a molecular weight of 375.47 g/mol. Its IUPAC name is 5-[3-(3-fluoroanilino)-3-oxopropyl]-N,N-dimethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-[3-(3-fluoroanilino)-3-oxopropyl]-N,N-dimethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide
PubChem CID91830161
Molecular FormulaC19H22FN3O2S
Molecular Weight375.47 g/mol
Exact Mass375.14
IUPAC Name5-[3-(3-fluoroanilino)-3-oxopropyl]-N,N-dimethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide
SMILESCN(C)C(=O)c1cc2c(s1)CCN(CCC(=O)Nc1cccc(F)c1)C2
InChIInChI=1S/C19H22FN3O2S/c1-22(2)19(25)17-10-13-12-23(8-6-16(13)26-17)9-7-18(24)21-15-5-3-4-14(20)11-15/h3-5,10-11H,6-9,12H2,1-2H3,(H,21,24)
InChIKeyRBOLSQIHHZQRMQ-UHFFFAOYSA-N
XLogP2.98
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[3-(3-fluoroanilino)-3-oxopropyl]-N,N-dimethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide with MolForge

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Related Compounds

3-[4-(dimethylamino)-4-methylpiperidin-1-yl]-N-(3-fluorophenyl)propanamide
CID 126830524
5-[(3-fluorophenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxylic acid
CID 82369248
N-(3-fluorophenyl)-3-(4-hydroxypiperidin-1-yl)propanamide
CID 43037946
3-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-methylphenyl)propanamide;hydrochloride
CID 52998055
N-(3-fluorophenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]propanamide
CID 740647
N-(3-fluorophenyl)-3-[4-(methylaminomethyl)piperidin-1-yl]propanamide
CID 63248996
3-[[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutanoyl]amino]-N-(3-fluorophenyl)benzamide
CID 55888504
N-(3-fluorophenyl)-3-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)propanamide
CID 33363762
N-(3-fluorophenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]propanamide;oxalic acid
CID 171154645
3-(4-ethynyl-4-hydroxypiperidin-1-yl)-N-(3-fluorophenyl)propanamide
CID 126824314
[2-(3-fluoroanilino)-2-oxoethyl] (5R)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate
CID 7401640
2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]acetic acid
CID 14802232

Frequently Asked Questions

What is the IUPAC name of 5-[3-(3-fluoroanilino)-3-oxopropyl]-N,N-dimethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide?
The IUPAC name of 5-[3-(3-fluoroanilino)-3-oxopropyl]-N,N-dimethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide (CID 91830161) is 5-[3-(3-fluoroanilino)-3-oxopropyl]-N,N-dimethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide.
What is the SMILES notation for 5-[3-(3-fluoroanilino)-3-oxopropyl]-N,N-dimethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide?
The canonical SMILES for 5-[3-(3-fluoroanilino)-3-oxopropyl]-N,N-dimethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide is CN(C)C(=O)c1cc2c(s1)CCN(CCC(=O)Nc1cccc(F)c1)C2.
What is the InChIKey of 5-[3-(3-fluoroanilino)-3-oxopropyl]-N,N-dimethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide?
The InChIKey is RBOLSQIHHZQRMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O2S/c1-22(2)19(25)17-10-13-12-23(8-6-16(13)26-17)9-7-18(24)21-15-5-3-4-14(20)11-15/h3-5,10-11H,6-9,12H2,1-2H3,(H,21,24).
What are the key properties of 5-[3-(3-fluoroanilino)-3-oxopropyl]-N,N-dimethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide?
5-[3-(3-fluoroanilino)-3-oxopropyl]-N,N-dimethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide has a molecular weight of 375.47 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(3-fluoroanilino)-3-oxopropyl]-N,N-dimethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide is sourced from PubChem (CID 91830161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).