3-(1H-indol-6-ylamino)-1-(6-methylidene-2-oxopiperidin-3-yl)pyrrole-2,5-dione

C18H16N4O3 — CID 164982701

IUPAC3-(1H-indol-6-ylamino)-1-(6-methylidene-2-oxopiperidin-3-yl)pyrrole-2,5-dione
SMILESC=C1CCC(N2C(=O)C=C(Nc3ccc4cc[nH]c4c3)C2=O)C(=O)N1
InChIInChI=1S/C18H16N4O3/c1-10-2-5-15(17(24)20-10)22-16(23)9-14(18(22)25)21-12-4-3-11-6-7-19-13(11)8-12/h3-4,6-9,15,19,21H,1-2,5H2,(H,20,24)
InChIKeyYPHXGBQXCYYWKJ-UHFFFAOYSA-N
MW336.35 g/mol
LogP1.62
Rot. Bonds3

About 3-(1H-indol-6-ylamino)-1-(6-methylidene-2-oxopiperidin-3-yl)pyrrole-2,5-dione

3-(1H-indol-6-ylamino)-1-(6-methylidene-2-oxopiperidin-3-yl)pyrrole-2,5-dione (PubChem CID 164982701) has the molecular formula C18H16N4O3 and a molecular weight of 336.35 g/mol. Its IUPAC name is 3-(1H-indol-6-ylamino)-1-(6-methylidene-2-oxopiperidin-3-yl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-(1H-indol-6-ylamino)-1-(6-methylidene-2-oxopiperidin-3-yl)pyrrole-2,5-dione
PubChem CID164982701
Molecular FormulaC18H16N4O3
Molecular Weight336.35 g/mol
Exact Mass336.12
IUPAC Name3-(1H-indol-6-ylamino)-1-(6-methylidene-2-oxopiperidin-3-yl)pyrrole-2,5-dione
SMILESC=C1CCC(N2C(=O)C=C(Nc3ccc4cc[nH]c4c3)C2=O)C(=O)N1
InChIInChI=1S/C18H16N4O3/c1-10-2-5-15(17(24)20-10)22-16(23)9-14(18(22)25)21-12-4-3-11-6-7-19-13(11)8-12/h3-4,6-9,15,19,21H,1-2,5H2,(H,20,24)
InChIKeyYPHXGBQXCYYWKJ-UHFFFAOYSA-N
XLogP1.62
TPSA94.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 51.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-(1H-indol-6-ylamino)-1-(6-methylidene-2-oxopiperidin-3-yl)pyrrole-2,5-dione with MolForge

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Related Compounds

ethyl 3-[[1-(6-methylidene-2-oxopiperidin-3-yl)-2,5-dioxopyrrol-3-yl]amino]benzoate
CID 165066116
1-(6-methylidene-2-oxopiperidin-3-yl)-3-[3-(3-oxo-4-phenylbutyl)anilino]pyrrole-2,5-dione
CID 164985332
3-[3-(3-chloro-4-methylanilino)-2,5-dioxopyrrol-1-yl]piperidine-2,6-dione
CID 146628561
1-(3-chloro-4-methylphenyl)-3-[[4-[[1-(6-methylidene-2-oxopiperidin-3-yl)-2,5-dioxopyrrol-3-yl]amino]phenyl]methyl]urea
CID 164988244
1-(6-methylidene-2-oxopiperidin-3-yl)-3-[3-[4-(4-methylphenyl)-3-oxobutyl]anilino]pyrrole-2,5-dione
CID 165021621
1-(6-methylidene-2-oxopiperidin-3-yl)-3-[3-[2-methyl-5-(3-methylphenyl)-4-oxopentan-2-yl]anilino]pyrrole-2,5-dione
CID 165073619
1-(3-chloro-4-methylphenyl)-3-[6-[[1-(6-methylidene-2-oxopiperidin-3-yl)-2,5-dioxopyrrol-3-yl]amino]-1H-inden-1-yl]urea
CID 164954317
3-[3-[5-(3-chlorophenyl)-4-oxopentan-2-yl]anilino]-1-(6-methylidene-2-oxopiperidin-3-yl)pyrrole-2,5-dione
CID 165002748
1-(3-chloro-4-methylphenyl)-3-[1-[3-methyl-5-[[1-(6-methylidene-2-oxopiperidin-3-yl)-2,5-dioxopyrrol-3-yl]amino]phenyl]ethyl]urea
CID 165101911
N,N-dimethyl-3-[[1-(6-methylidene-2-oxopiperidin-3-yl)-2,5-dioxopyrrol-3-yl]amino]benzamide;N,N-dimethyl-4-[[1-(6-methylidene-2-oxopiperidin-3-yl)-2,5-dioxopyrrol-3-yl]amino]benzamide;N,N-dimethyl-2-[3-[[1-(6-methylidene-2-oxopiperidin-3-yl)-2,5-dioxopyrrol-3-yl]amino]phenyl]acetamide;3-(1H-indazol-6-ylamino)-1-(6-methylidene-2-oxopiperidin-3-yl)pyrrole-2,5-dione;1-(6-methylidene-2-oxopiperidin-3-yl)-3-[3-(1H-pyrazol-5-yl)anilino]pyrrole-2,5-dione
CID 165001418
5-amino-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione
CID 118527125
5-hydroxy-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione
CID 142596962

Frequently Asked Questions

What is the IUPAC name of 3-(1H-indol-6-ylamino)-1-(6-methylidene-2-oxopiperidin-3-yl)pyrrole-2,5-dione?
The IUPAC name of 3-(1H-indol-6-ylamino)-1-(6-methylidene-2-oxopiperidin-3-yl)pyrrole-2,5-dione (CID 164982701) is 3-(1H-indol-6-ylamino)-1-(6-methylidene-2-oxopiperidin-3-yl)pyrrole-2,5-dione.
What is the SMILES notation for 3-(1H-indol-6-ylamino)-1-(6-methylidene-2-oxopiperidin-3-yl)pyrrole-2,5-dione?
The canonical SMILES for 3-(1H-indol-6-ylamino)-1-(6-methylidene-2-oxopiperidin-3-yl)pyrrole-2,5-dione is C=C1CCC(N2C(=O)C=C(Nc3ccc4cc[nH]c4c3)C2=O)C(=O)N1.
What is the InChIKey of 3-(1H-indol-6-ylamino)-1-(6-methylidene-2-oxopiperidin-3-yl)pyrrole-2,5-dione?
The InChIKey is YPHXGBQXCYYWKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O3/c1-10-2-5-15(17(24)20-10)22-16(23)9-14(18(22)25)21-12-4-3-11-6-7-19-13(11)8-12/h3-4,6-9,15,19,21H,1-2,5H2,(H,20,24).
What are the key properties of 3-(1H-indol-6-ylamino)-1-(6-methylidene-2-oxopiperidin-3-yl)pyrrole-2,5-dione?
3-(1H-indol-6-ylamino)-1-(6-methylidene-2-oxopiperidin-3-yl)pyrrole-2,5-dione has a molecular weight of 336.35 g/mol, XLogP of 1.62, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indol-6-ylamino)-1-(6-methylidene-2-oxopiperidin-3-yl)pyrrole-2,5-dione is sourced from PubChem (CID 164982701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).