2-[4-[(4R)-4-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]phenyl]pyridine-4-carboxamide

C25H21N5O5 — CID 90865001

IUPAC2-[4-[(4R)-4-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]phenyl]pyridine-4-carboxamide
SMILESCOc1ccc2cn(C[C@@]3(c4ccc(-c5cc(C(N)=O)ccn5)cc4)NC(=O)NC3=O)c(O)c2c1
InChIInChI=1S/C25H21N5O5/c1-35-18-7-4-16-12-30(22(32)19(16)11-18)13-25(23(33)28-24(34)29-25)17-5-2-14(3-6-17)20-10-15(21(26)31)8-9-27-20/h2-12,32H,13H2,1H3,(H2,26,31)(H2,28,29,33,34)/t25-/m0/s1
InChIKeyKPGXWARNFIUCPI-VWLOTQADSA-N
MW471.47 g/mol
LogP2.25
Rot. Bonds6

About 2-[4-[(4R)-4-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]phenyl]pyridine-4-carboxamide

2-[4-[(4R)-4-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]phenyl]pyridine-4-carboxamide (PubChem CID 90865001) has the molecular formula C25H21N5O5 and a molecular weight of 471.47 g/mol. Its IUPAC name is 2-[4-[(4R)-4-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]phenyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-[4-[(4R)-4-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]phenyl]pyridine-4-carboxamide
PubChem CID90865001
Molecular FormulaC25H21N5O5
Molecular Weight471.47 g/mol
Exact Mass471.15
IUPAC Name2-[4-[(4R)-4-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]phenyl]pyridine-4-carboxamide
SMILESCOc1ccc2cn(C[C@@]3(c4ccc(-c5cc(C(N)=O)ccn5)cc4)NC(=O)NC3=O)c(O)c2c1
InChIInChI=1S/C25H21N5O5/c1-35-18-7-4-16-12-30(22(32)19(16)11-18)13-25(23(33)28-24(34)29-25)17-5-2-14(3-6-17)20-10-15(21(26)31)8-9-27-20/h2-12,32H,13H2,1H3,(H2,26,31)(H2,28,29,33,34)/t25-/m0/s1
InChIKeyKPGXWARNFIUCPI-VWLOTQADSA-N
XLogP2.25
TPSA148.57 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.47
LogP ≤ 52.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

5-[4-[(4R)-4-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]phenyl]pyridine-2-carboxamide
CID 91035515
(5R)-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-5-[4-[4-(1H-pyrazol-5-yl)phenyl]phenyl]imidazolidine-2,4-dione
CID 90714852
(5R)-5-(4-fluorophenyl)-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]imidazolidine-2,4-dione
CID 91099618
(5S)-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-5-[4-(3-methyl-2-pyridinyl)phenyl]imidazolidine-2,4-dione
CID 123880370
(5S)-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-5-[4-(2-methyl-1H-imidazol-5-yl)phenyl]imidazolidine-2,4-dione
CID 91246364
4-[4-[(4R)-4-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]phenyl]benzenesulfonamide
CID 91410877
5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-5-phenylimidazolidine-2,4-dione
CID 91258994
(5R)-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-5-[4-(2-methylquinolin-6-yl)phenyl]imidazolidine-2,4-dione
CID 91571638
(5R)-5-[(1-hydroxy-5-methoxyisoindol-2-yl)methyl]-5-(4-pyrazin-2-ylphenyl)imidazolidine-2,4-dione
CID 91337439
(5R)-5-[4-(4-hydroxybut-2-ynoxy)phenyl]-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]imidazolidine-2,4-dione
CID 91078725
5-[4-[2-(2-aminoethyl)phenyl]phenyl]-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]imidazolidine-2,4-dione
CID 90972982
(5R)-5-[[1-hydroxy-6-(2,2,2-trifluoroethoxy)isoindol-2-yl]methyl]-5-(4-pyrazin-2-ylphenyl)imidazolidine-2,4-dione
CID 91388976

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4R)-4-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]phenyl]pyridine-4-carboxamide?
The IUPAC name of 2-[4-[(4R)-4-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]phenyl]pyridine-4-carboxamide (CID 90865001) is 2-[4-[(4R)-4-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]phenyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-[4-[(4R)-4-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]phenyl]pyridine-4-carboxamide?
The canonical SMILES for 2-[4-[(4R)-4-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]phenyl]pyridine-4-carboxamide is COc1ccc2cn(C[C@@]3(c4ccc(-c5cc(C(N)=O)ccn5)cc4)NC(=O)NC3=O)c(O)c2c1.
What is the InChIKey of 2-[4-[(4R)-4-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]phenyl]pyridine-4-carboxamide?
The InChIKey is KPGXWARNFIUCPI-VWLOTQADSA-N. The full InChI is InChI=1S/C25H21N5O5/c1-35-18-7-4-16-12-30(22(32)19(16)11-18)13-25(23(33)28-24(34)29-25)17-5-2-14(3-6-17)20-10-15(21(26)31)8-9-27-20/h2-12,32H,13H2,1H3,(H2,26,31)(H2,28,29,33,34)/t25-/m0/s1.
What are the key properties of 2-[4-[(4R)-4-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]phenyl]pyridine-4-carboxamide?
2-[4-[(4R)-4-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]phenyl]pyridine-4-carboxamide has a molecular weight of 471.47 g/mol, XLogP of 2.25, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4R)-4-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 90865001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).