4-(cyclopropanecarbonyl)-N-(2-pyridin-2-ylethyl)-5,6-dihydrothieno[3,2-b]pyrrole-2-carboxamide

C18H19N3O2S — CID 97442346

IUPAC4-(cyclopropanecarbonyl)-N-(2-pyridin-2-ylethyl)-5,6-dihydrothieno[3,2-b]pyrrole-2-carboxamide
SMILESO=C(NCCc1ccccn1)c1cc2c(s1)CCN2C(=O)C1CC1
InChIInChI=1S/C18H19N3O2S/c22-17(20-9-6-13-3-1-2-8-19-13)16-11-14-15(24-16)7-10-21(14)18(23)12-4-5-12/h1-3,8,11-12H,4-7,9-10H2,(H,20,22)
InChIKeyOXCVWEUUFGNRMS-UHFFFAOYSA-N
MW341.44 g/mol
LogP2.41
Rot. Bonds5

About 4-(cyclopropanecarbonyl)-N-(2-pyridin-2-ylethyl)-5,6-dihydrothieno[3,2-b]pyrrole-2-carboxamide

4-(cyclopropanecarbonyl)-N-(2-pyridin-2-ylethyl)-5,6-dihydrothieno[3,2-b]pyrrole-2-carboxamide (PubChem CID 97442346) has the molecular formula C18H19N3O2S and a molecular weight of 341.44 g/mol. Its IUPAC name is 4-(cyclopropanecarbonyl)-N-(2-pyridin-2-ylethyl)-5,6-dihydrothieno[3,2-b]pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-(cyclopropanecarbonyl)-N-(2-pyridin-2-ylethyl)-5,6-dihydrothieno[3,2-b]pyrrole-2-carboxamide
PubChem CID97442346
Molecular FormulaC18H19N3O2S
Molecular Weight341.44 g/mol
Exact Mass341.12
IUPAC Name4-(cyclopropanecarbonyl)-N-(2-pyridin-2-ylethyl)-5,6-dihydrothieno[3,2-b]pyrrole-2-carboxamide
SMILESO=C(NCCc1ccccn1)c1cc2c(s1)CCN2C(=O)C1CC1
InChIInChI=1S/C18H19N3O2S/c22-17(20-9-6-13-3-1-2-8-19-13)16-11-14-15(24-16)7-10-21(14)18(23)12-4-5-12/h1-3,8,11-12H,4-7,9-10H2,(H,20,22)
InChIKeyOXCVWEUUFGNRMS-UHFFFAOYSA-N
XLogP2.41
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(cyclopropanecarbonyl)-N-(2-pyridin-2-ylethyl)-5,6-dihydrothieno[3,2-b]pyrrole-2-carboxamide with MolForge

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Related Compounds

4-(pyridine-3-carbonyl)-N-(pyridin-2-ylmethyl)-5,6-dihydrothieno[3,2-b]pyrrole-2-carboxamide
CID 97407182
4-benzoyl-N-propyl-5,6-dihydrothieno[3,2-b]pyrrole-2-carboxamide
CID 97442309
4-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(pyridin-2-ylmethyl)cyclohexane-1-carboxamide
CID 109148704
2-pyridin-2-ylethylcarbamothioic S-acid
CID 87074091
5-amino-N-(2-pyridin-2-ylethyl)-1-benzothiophene-2-carboxamide
CID 61095095
4-hydroxy-N-(2-pyridin-2-ylethyl)cyclohexane-1-carboxamide
CID 112530288
N-(2-pyridin-2-ylethyl)cyclopentanecarboxamide
CID 110872250
5-chloro-4-nitro-N-(2-pyridin-2-ylethyl)thiophene-2-carboxamide
CID 112530264
cis-(1R,3S)-3-(2-pyridin-2-ylethylcarbamoyl)cyclopentane-1-carboxylic acid
CID 74235631
2-(2-pyridin-2-ylethylcarbamoyl)benzoic acid
CID 43396615
5-bromo-N-(2-pyridin-2-ylethyl)-1,3,4-thiadiazole-2-carboxamide
CID 175367392
cyclopropyl-[2-[4-(dimethylamino)piperidine-1-carbonyl]-5,6-dihydrothieno[3,2-b]pyrrol-4-yl]methanone
CID 97407214

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropanecarbonyl)-N-(2-pyridin-2-ylethyl)-5,6-dihydrothieno[3,2-b]pyrrole-2-carboxamide?
The IUPAC name of 4-(cyclopropanecarbonyl)-N-(2-pyridin-2-ylethyl)-5,6-dihydrothieno[3,2-b]pyrrole-2-carboxamide (CID 97442346) is 4-(cyclopropanecarbonyl)-N-(2-pyridin-2-ylethyl)-5,6-dihydrothieno[3,2-b]pyrrole-2-carboxamide.
What is the SMILES notation for 4-(cyclopropanecarbonyl)-N-(2-pyridin-2-ylethyl)-5,6-dihydrothieno[3,2-b]pyrrole-2-carboxamide?
The canonical SMILES for 4-(cyclopropanecarbonyl)-N-(2-pyridin-2-ylethyl)-5,6-dihydrothieno[3,2-b]pyrrole-2-carboxamide is O=C(NCCc1ccccn1)c1cc2c(s1)CCN2C(=O)C1CC1.
What is the InChIKey of 4-(cyclopropanecarbonyl)-N-(2-pyridin-2-ylethyl)-5,6-dihydrothieno[3,2-b]pyrrole-2-carboxamide?
The InChIKey is OXCVWEUUFGNRMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2S/c22-17(20-9-6-13-3-1-2-8-19-13)16-11-14-15(24-16)7-10-21(14)18(23)12-4-5-12/h1-3,8,11-12H,4-7,9-10H2,(H,20,22).
What are the key properties of 4-(cyclopropanecarbonyl)-N-(2-pyridin-2-ylethyl)-5,6-dihydrothieno[3,2-b]pyrrole-2-carboxamide?
4-(cyclopropanecarbonyl)-N-(2-pyridin-2-ylethyl)-5,6-dihydrothieno[3,2-b]pyrrole-2-carboxamide has a molecular weight of 341.44 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropanecarbonyl)-N-(2-pyridin-2-ylethyl)-5,6-dihydrothieno[3,2-b]pyrrole-2-carboxamide is sourced from PubChem (CID 97442346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).