6-methoxy-2-methyl-3H-isoindol-1-one;5-[(E)-2-[3-(methylamino)-2-pyridinyl]ethenyl]imidazolidine-2,4-dione

C21H23N5O4 — CID 143510664

IUPAC6-methoxy-2-methyl-3H-isoindol-1-one;5-[(E)-2-[3-(methylamino)-2-pyridinyl]ethenyl]imidazolidine-2,4-dione
SMILESCNc1cccnc1/C=C/C1NC(=O)NC1=O.COc1ccc2c(c1)C(=O)N(C)C2
InChIInChI=1S/C11H12N4O2.C10H11NO2/c1-12-7-3-2-6-13-8(7)4-5-9-10(16)15-11(17)14-9;1-11-6-7-3-4-8(13-2)5-9(7)10(11)12/h2-6,9,12H,1H3,(H2,14,15,16,17);3-5H,6H2,1-2H3/b5-4+;
InChIKeySHZMDTVEOSMBDK-FXRZFVDSSA-N
MW409.45 g/mol
LogP1.63
Rot. Bonds4

About 6-methoxy-2-methyl-3H-isoindol-1-one;5-[(E)-2-[3-(methylamino)-2-pyridinyl]ethenyl]imidazolidine-2,4-dione

6-methoxy-2-methyl-3H-isoindol-1-one;5-[(E)-2-[3-(methylamino)-2-pyridinyl]ethenyl]imidazolidine-2,4-dione (PubChem CID 143510664) has the molecular formula C21H23N5O4 and a molecular weight of 409.45 g/mol. Its IUPAC name is 6-methoxy-2-methyl-3H-isoindol-1-one;5-[(E)-2-[3-(methylamino)-2-pyridinyl]ethenyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name6-methoxy-2-methyl-3H-isoindol-1-one;5-[(E)-2-[3-(methylamino)-2-pyridinyl]ethenyl]imidazolidine-2,4-dione
PubChem CID143510664
Molecular FormulaC21H23N5O4
Molecular Weight409.45 g/mol
Exact Mass409.18
IUPAC Name6-methoxy-2-methyl-3H-isoindol-1-one;5-[(E)-2-[3-(methylamino)-2-pyridinyl]ethenyl]imidazolidine-2,4-dione
SMILESCNc1cccnc1/C=C/C1NC(=O)NC1=O.COc1ccc2c(c1)C(=O)N(C)C2
InChIInChI=1S/C11H12N4O2.C10H11NO2/c1-12-7-3-2-6-13-8(7)4-5-9-10(16)15-11(17)14-9;1-11-6-7-3-4-8(13-2)5-9(7)10(11)12/h2-6,9,12H,1H3,(H2,14,15,16,17);3-5H,6H2,1-2H3/b5-4+;
InChIKeySHZMDTVEOSMBDK-FXRZFVDSSA-N
XLogP1.63
TPSA112.66 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.45
LogP ≤ 51.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

6-methoxy-2-methyl-3H-isoindol-1-one;5-(1H-pyrrolo[3,2-b]pyridin-2-yl)imidazolidine-2,4-dione
CID 143510757
6-methoxy-2-methyl-3H-isoindol-1-one;methyl 2-[4-[2-(2,5-dioxoimidazolidin-4-yl)ethynyl]phenyl]acetate
CID 143991222
4-[4-(2,5-dioxoimidazolidin-4-yl)phenyl]-1-methylpyrazole-3-carbonitrile;ethane;6-methoxy-2-methyl-3H-isoindol-1-one
CID 143510190
(5S)-5-[2-[4-(2-hydroxyphenyl)phenyl]ethynyl]imidazolidine-2,4-dione;6-methoxy-2-methyl-3H-isoindol-1-one
CID 143990846
5-[2-[4-(2-hydroxyphenyl)phenyl]ethynyl]imidazolidine-2,4-dione;6-methoxy-2-methyl-3H-isoindol-1-one
CID 143991283
ethane;5-[6-(1-methoxyethenyl)furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione;6-methoxy-2-methyl-3H-isoindol-1-one
CID 143990138
5-ethylimidazolidine-2,4-dione;6-methoxy-2-methyl-3H-isoindol-1-one;5-pyridin-4-yl-1H-pyrano[4,3-c]pyridine
CID 143990083
5-[5-(6-amino-3-pyridinyl)-6-fluoro-1-benzofuran-2-yl]imidazolidine-2,4-dione;6-methoxy-2-methyl-3H-isoindol-1-one
CID 143989398
1-[2-(2,5-dioxoimidazolidin-4-yl)furo[3,2-b]pyridin-5-yl]-3-ethylurea;6-methoxy-2-methyl-3H-isoindol-1-one
CID 143989988
5-[5-[2-hydroxyethyl(3-pyridin-2-ylpropyl)amino]furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione;6-methoxy-2-methyl-3H-isoindol-1-one
CID 143989226
N-cyclopropylformamide;6-methoxy-2-methyl-3H-isoindol-1-one;5-[(6-methyl-4H-furo[3,2-c]azepin-2-yl)methyl]imidazolidine-2,4-dione
CID 143989330
6-methoxy-2-methyl-3H-isoindol-1-one;5-[(3Z,5Z)-3-[1-(1,3,5-trimethylpyrazol-4-yl)ethenyl]hepta-3,5-dien-1-ynyl]imidazolidine-2,4-dione
CID 143990866

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-methyl-3H-isoindol-1-one;5-[(E)-2-[3-(methylamino)-2-pyridinyl]ethenyl]imidazolidine-2,4-dione?
The IUPAC name of 6-methoxy-2-methyl-3H-isoindol-1-one;5-[(E)-2-[3-(methylamino)-2-pyridinyl]ethenyl]imidazolidine-2,4-dione (CID 143510664) is 6-methoxy-2-methyl-3H-isoindol-1-one;5-[(E)-2-[3-(methylamino)-2-pyridinyl]ethenyl]imidazolidine-2,4-dione.
What is the SMILES notation for 6-methoxy-2-methyl-3H-isoindol-1-one;5-[(E)-2-[3-(methylamino)-2-pyridinyl]ethenyl]imidazolidine-2,4-dione?
The canonical SMILES for 6-methoxy-2-methyl-3H-isoindol-1-one;5-[(E)-2-[3-(methylamino)-2-pyridinyl]ethenyl]imidazolidine-2,4-dione is CNc1cccnc1/C=C/C1NC(=O)NC1=O.COc1ccc2c(c1)C(=O)N(C)C2.
What is the InChIKey of 6-methoxy-2-methyl-3H-isoindol-1-one;5-[(E)-2-[3-(methylamino)-2-pyridinyl]ethenyl]imidazolidine-2,4-dione?
The InChIKey is SHZMDTVEOSMBDK-FXRZFVDSSA-N. The full InChI is InChI=1S/C11H12N4O2.C10H11NO2/c1-12-7-3-2-6-13-8(7)4-5-9-10(16)15-11(17)14-9;1-11-6-7-3-4-8(13-2)5-9(7)10(11)12/h2-6,9,12H,1H3,(H2,14,15,16,17);3-5H,6H2,1-2H3/b5-4+;.
What are the key properties of 6-methoxy-2-methyl-3H-isoindol-1-one;5-[(E)-2-[3-(methylamino)-2-pyridinyl]ethenyl]imidazolidine-2,4-dione?
6-methoxy-2-methyl-3H-isoindol-1-one;5-[(E)-2-[3-(methylamino)-2-pyridinyl]ethenyl]imidazolidine-2,4-dione has a molecular weight of 409.45 g/mol, XLogP of 1.63, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-methyl-3H-isoindol-1-one;5-[(E)-2-[3-(methylamino)-2-pyridinyl]ethenyl]imidazolidine-2,4-dione is sourced from PubChem (CID 143510664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).