1-[(6-amino-3-pyridinyl)methyl]-3-(4-methoxyphenyl)imino-4-phenylpyrrolidine-2,5-dione

C23H20N4O3 — CID 91284009

IUPAC1-[(6-amino-3-pyridinyl)methyl]-3-(4-methoxyphenyl)imino-4-phenylpyrrolidine-2,5-dione
SMILESCOc1ccc(/N=C2\C(=O)N(Cc3ccc(N)nc3)C(=O)C2c2ccccc2)cc1
InChIInChI=1S/C23H20N4O3/c1-30-18-10-8-17(9-11-18)26-21-20(16-5-3-2-4-6-16)22(28)27(23(21)29)14-15-7-12-19(24)25-13-15/h2-13,20H,14H2,1H3,(H2,24,25)/b26-21-
InChIKeyYUAIMABSLOGZKN-QLYXXIJNSA-N
MW400.44 g/mol
LogP3.10
Rot. Bonds5

About 1-[(6-amino-3-pyridinyl)methyl]-3-(4-methoxyphenyl)imino-4-phenylpyrrolidine-2,5-dione

1-[(6-amino-3-pyridinyl)methyl]-3-(4-methoxyphenyl)imino-4-phenylpyrrolidine-2,5-dione (PubChem CID 91284009) has the molecular formula C23H20N4O3 and a molecular weight of 400.44 g/mol. Its IUPAC name is 1-[(6-amino-3-pyridinyl)methyl]-3-(4-methoxyphenyl)imino-4-phenylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[(6-amino-3-pyridinyl)methyl]-3-(4-methoxyphenyl)imino-4-phenylpyrrolidine-2,5-dione
PubChem CID91284009
Molecular FormulaC23H20N4O3
Molecular Weight400.44 g/mol
Exact Mass400.15
IUPAC Name1-[(6-amino-3-pyridinyl)methyl]-3-(4-methoxyphenyl)imino-4-phenylpyrrolidine-2,5-dione
SMILESCOc1ccc(/N=C2\C(=O)N(Cc3ccc(N)nc3)C(=O)C2c2ccccc2)cc1
InChIInChI=1S/C23H20N4O3/c1-30-18-10-8-17(9-11-18)26-21-20(16-5-3-2-4-6-16)22(28)27(23(21)29)14-15-7-12-19(24)25-13-15/h2-13,20H,14H2,1H3,(H2,24,25)/b26-21-
InChIKeyYUAIMABSLOGZKN-QLYXXIJNSA-N
XLogP3.10
TPSA97.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.44
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

1-[(6-amino-3-pyridinyl)methyl]-3-[4-(difluoromethoxy)phenyl]imino-4-phenyl-5-sulfanylidenepyrrolidin-2-one
CID 91064432
1-(2-methoxyethyl)-4-(4-methoxyphenyl)imino-3-phenyl-5-sulfanylidenepyrrolidin-2-one
CID 91558880
2-[(5S)-3-[(4-methoxyphenyl)methyl]-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetic acid
CID 28776742
(2S)-2-(4-methoxyphenyl)-3-phenyliminoinden-1-one
CID 124542757
2-[3-[(4-methoxyphenyl)methyl]-4-oxo-2-phenylimino-1,3-thiazinan-5-yl]acetic acid
CID 102481576
5-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-3-[(4-methoxyphenyl)methyl]-2-phenylimino-1,3-thiazolidin-4-one
CID 5124472
(3R,3aS,7aS)-1-[(4-methoxyphenyl)methyl]-3-phenyl-3a,4,5,6,7,7a-hexahydro-3H-indol-2-one
CID 10664533
2-(4-methoxyphenyl)imino-3-[(4-methoxyphenyl)methyl]-4-oxo-N-(2-phenylethyl)-1,3-thiazinane-6-carboxamide
CID 5060945
2-[(5S)-3-benzyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]-N-(4-methoxyphenyl)acetamide
CID 40938601
(6S)-3-[(4-methoxyphenyl)methyl]-4-oxo-N-phenyl-2-phenylimino-1,3-thiazinane-6-carboxamide
CID 42588772
2-[(5R)-3-benzyl-2-(4-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methoxyphenyl)acetamide
CID 41245251
(4-methoxyphenyl)methyl-phenyliodanium
CID 22385450

Frequently Asked Questions

What is the IUPAC name of 1-[(6-amino-3-pyridinyl)methyl]-3-(4-methoxyphenyl)imino-4-phenylpyrrolidine-2,5-dione?
The IUPAC name of 1-[(6-amino-3-pyridinyl)methyl]-3-(4-methoxyphenyl)imino-4-phenylpyrrolidine-2,5-dione (CID 91284009) is 1-[(6-amino-3-pyridinyl)methyl]-3-(4-methoxyphenyl)imino-4-phenylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-[(6-amino-3-pyridinyl)methyl]-3-(4-methoxyphenyl)imino-4-phenylpyrrolidine-2,5-dione?
The canonical SMILES for 1-[(6-amino-3-pyridinyl)methyl]-3-(4-methoxyphenyl)imino-4-phenylpyrrolidine-2,5-dione is COc1ccc(/N=C2\C(=O)N(Cc3ccc(N)nc3)C(=O)C2c2ccccc2)cc1.
What is the InChIKey of 1-[(6-amino-3-pyridinyl)methyl]-3-(4-methoxyphenyl)imino-4-phenylpyrrolidine-2,5-dione?
The InChIKey is YUAIMABSLOGZKN-QLYXXIJNSA-N. The full InChI is InChI=1S/C23H20N4O3/c1-30-18-10-8-17(9-11-18)26-21-20(16-5-3-2-4-6-16)22(28)27(23(21)29)14-15-7-12-19(24)25-13-15/h2-13,20H,14H2,1H3,(H2,24,25)/b26-21-.
What are the key properties of 1-[(6-amino-3-pyridinyl)methyl]-3-(4-methoxyphenyl)imino-4-phenylpyrrolidine-2,5-dione?
1-[(6-amino-3-pyridinyl)methyl]-3-(4-methoxyphenyl)imino-4-phenylpyrrolidine-2,5-dione has a molecular weight of 400.44 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-amino-3-pyridinyl)methyl]-3-(4-methoxyphenyl)imino-4-phenylpyrrolidine-2,5-dione is sourced from PubChem (CID 91284009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).