3-[2-hydroxyethyl(methyl)amino]-1-(pyridin-3-ylmethyl)-4-thiophen-2-ylpyrrole-2,5-dione

C17H17N3O3S — CID 110552737

IUPAC3-[2-hydroxyethyl(methyl)amino]-1-(pyridin-3-ylmethyl)-4-thiophen-2-ylpyrrole-2,5-dione
SMILESCN(CCO)C1=C(c2cccs2)C(=O)N(Cc2cccnc2)C1=O
InChIInChI=1S/C17H17N3O3S/c1-19(7-8-21)15-14(13-5-3-9-24-13)16(22)20(17(15)23)11-12-4-2-6-18-10-12/h2-6,9-10,21H,7-8,11H2,1H3
InChIKeyNNVLPIKVROEMQV-UHFFFAOYSA-N
MW343.41 g/mol
LogP1.35
Rot. Bonds6

About 3-[2-hydroxyethyl(methyl)amino]-1-(pyridin-3-ylmethyl)-4-thiophen-2-ylpyrrole-2,5-dione

3-[2-hydroxyethyl(methyl)amino]-1-(pyridin-3-ylmethyl)-4-thiophen-2-ylpyrrole-2,5-dione (PubChem CID 110552737) has the molecular formula C17H17N3O3S and a molecular weight of 343.41 g/mol. Its IUPAC name is 3-[2-hydroxyethyl(methyl)amino]-1-(pyridin-3-ylmethyl)-4-thiophen-2-ylpyrrole-2,5-dione.

Molecular Properties

Compound Name3-[2-hydroxyethyl(methyl)amino]-1-(pyridin-3-ylmethyl)-4-thiophen-2-ylpyrrole-2,5-dione
PubChem CID110552737
Molecular FormulaC17H17N3O3S
Molecular Weight343.41 g/mol
Exact Mass343.10
IUPAC Name3-[2-hydroxyethyl(methyl)amino]-1-(pyridin-3-ylmethyl)-4-thiophen-2-ylpyrrole-2,5-dione
SMILESCN(CCO)C1=C(c2cccs2)C(=O)N(Cc2cccnc2)C1=O
InChIInChI=1S/C17H17N3O3S/c1-19(7-8-21)15-14(13-5-3-9-24-13)16(22)20(17(15)23)11-12-4-2-6-18-10-12/h2-6,9-10,21H,7-8,11H2,1H3
InChIKeyNNVLPIKVROEMQV-UHFFFAOYSA-N
XLogP1.35
TPSA73.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

3-(4-chlorophenyl)-4-[2-hydroxyethyl(methyl)amino]-1-(pyridin-3-ylmethyl)pyrrole-2,5-dione
CID 110569436
3-[2-hydroxyethyl(methyl)amino]-1-(2-phenylethyl)-4-thiophen-2-ylpyrrole-2,5-dione
CID 110552383
3-(2,4-dimethylphenyl)-4-[2-hydroxyethyl(methyl)amino]-1-(pyridin-3-ylmethyl)pyrrole-2,5-dione
CID 110578321
3-[2-hydroxyethyl(methyl)amino]-4-(4-propan-2-yloxyphenyl)-1-(pyridin-3-ylmethyl)pyrrole-2,5-dione
CID 110575021
3-[2-hydroxyethyl(methyl)amino]-1-prop-2-enyl-4-thiophen-2-ylpyrrole-2,5-dione
CID 110553563
1-(3-ethoxypropyl)-3-[2-hydroxyethyl(methyl)amino]-4-thiophen-2-ylpyrrole-2,5-dione
CID 110553635
3-(4-chlorophenyl)sulfanyl-1-(pyridin-3-ylmethyl)-4-thiophen-2-ylpyrrole-2,5-dione
CID 110552747
1-(pyridin-3-ylmethyl)-3-thiophen-2-yl-4-(3,4,5-trimethoxyanilino)pyrrole-2,5-dione
CID 110552745
1-[4-(diethylamino)phenyl]-3-[2-hydroxyethyl(methyl)amino]-4-thiophen-2-ylpyrrole-2,5-dione
CID 110552260
1-(3,4-diethoxyphenyl)-3-[2-hydroxyethyl(methyl)amino]-4-thiophen-2-ylpyrrole-2,5-dione
CID 110555155
3-[benzyl(methyl)amino]-1-propyl-4-thiophen-2-ylpyrrole-2,5-dione
CID 110552926
3-[benzyl(methyl)amino]-4-(4-propoxyphenyl)-1-(pyridin-3-ylmethyl)pyrrole-2,5-dione
CID 110576526

Frequently Asked Questions

What is the IUPAC name of 3-[2-hydroxyethyl(methyl)amino]-1-(pyridin-3-ylmethyl)-4-thiophen-2-ylpyrrole-2,5-dione?
The IUPAC name of 3-[2-hydroxyethyl(methyl)amino]-1-(pyridin-3-ylmethyl)-4-thiophen-2-ylpyrrole-2,5-dione (CID 110552737) is 3-[2-hydroxyethyl(methyl)amino]-1-(pyridin-3-ylmethyl)-4-thiophen-2-ylpyrrole-2,5-dione.
What is the SMILES notation for 3-[2-hydroxyethyl(methyl)amino]-1-(pyridin-3-ylmethyl)-4-thiophen-2-ylpyrrole-2,5-dione?
The canonical SMILES for 3-[2-hydroxyethyl(methyl)amino]-1-(pyridin-3-ylmethyl)-4-thiophen-2-ylpyrrole-2,5-dione is CN(CCO)C1=C(c2cccs2)C(=O)N(Cc2cccnc2)C1=O.
What is the InChIKey of 3-[2-hydroxyethyl(methyl)amino]-1-(pyridin-3-ylmethyl)-4-thiophen-2-ylpyrrole-2,5-dione?
The InChIKey is NNVLPIKVROEMQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3S/c1-19(7-8-21)15-14(13-5-3-9-24-13)16(22)20(17(15)23)11-12-4-2-6-18-10-12/h2-6,9-10,21H,7-8,11H2,1H3.
What are the key properties of 3-[2-hydroxyethyl(methyl)amino]-1-(pyridin-3-ylmethyl)-4-thiophen-2-ylpyrrole-2,5-dione?
3-[2-hydroxyethyl(methyl)amino]-1-(pyridin-3-ylmethyl)-4-thiophen-2-ylpyrrole-2,5-dione has a molecular weight of 343.41 g/mol, XLogP of 1.35, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-hydroxyethyl(methyl)amino]-1-(pyridin-3-ylmethyl)-4-thiophen-2-ylpyrrole-2,5-dione is sourced from PubChem (CID 110552737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).