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

C25H21N5O5 — CID 91035515

IUPAC5-[4-[(4R)-4-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]phenyl]pyridine-2-carboxamide
SMILESCOc1ccc2cn(C[C@@]3(c4ccc(-c5ccc(C(N)=O)nc5)cc4)NC(=O)NC3=O)c(O)c2c1
InChIInChI=1S/C25H21N5O5/c1-35-18-8-4-16-12-30(22(32)19(16)10-18)13-25(23(33)28-24(34)29-25)17-6-2-14(3-7-17)15-5-9-20(21(26)31)27-11-15/h2-12,32H,13H2,1H3,(H2,26,31)(H2,28,29,33,34)/t25-/m0/s1
InChIKeyOINRCGHJDPXXEE-VWLOTQADSA-N
MW471.47 g/mol
LogP2.25
Rot. Bonds6

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

5-[4-[(4R)-4-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]phenyl]pyridine-2-carboxamide (PubChem CID 91035515) has the molecular formula C25H21N5O5 and a molecular weight of 471.47 g/mol. Its IUPAC name is 5-[4-[(4R)-4-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-[4-[(4R)-4-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]phenyl]pyridine-2-carboxamide
PubChem CID91035515
Molecular FormulaC25H21N5O5
Molecular Weight471.47 g/mol
Exact Mass471.15
IUPAC Name5-[4-[(4R)-4-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]phenyl]pyridine-2-carboxamide
SMILESCOc1ccc2cn(C[C@@]3(c4ccc(-c5ccc(C(N)=O)nc5)cc4)NC(=O)NC3=O)c(O)c2c1
InChIInChI=1S/C25H21N5O5/c1-35-18-8-4-16-12-30(22(32)19(16)10-18)13-25(23(33)28-24(34)29-25)17-6-2-14(3-7-17)15-5-9-20(21(26)31)27-11-15/h2-12,32H,13H2,1H3,(H2,26,31)(H2,28,29,33,34)/t25-/m0/s1
InChIKeyOINRCGHJDPXXEE-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

2-[4-[(4R)-4-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]phenyl]pyridine-4-carboxamide
CID 90865001
(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
(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
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
(5S)-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-5-[4-(3-methyl-2-pyridinyl)phenyl]imidazolidine-2,4-dione
CID 123880370
(5R)-5-[4-(2,7-dimethylindazol-5-yl)phenyl]-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]imidazolidine-2,4-dione
CID 90923035
(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-methoxyisoindol-2-yl)methyl]-5-(1-propan-2-ylpyrazol-4-yl)imidazolidine-2,4-dione
CID 90994832

Frequently Asked Questions

What is the IUPAC name of 5-[4-[(4R)-4-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]phenyl]pyridine-2-carboxamide?
The IUPAC name of 5-[4-[(4R)-4-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]phenyl]pyridine-2-carboxamide (CID 91035515) is 5-[4-[(4R)-4-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]phenyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-[4-[(4R)-4-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]phenyl]pyridine-2-carboxamide?
The canonical SMILES for 5-[4-[(4R)-4-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]phenyl]pyridine-2-carboxamide is COc1ccc2cn(C[C@@]3(c4ccc(-c5ccc(C(N)=O)nc5)cc4)NC(=O)NC3=O)c(O)c2c1.
What is the InChIKey of 5-[4-[(4R)-4-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]phenyl]pyridine-2-carboxamide?
The InChIKey is OINRCGHJDPXXEE-VWLOTQADSA-N. The full InChI is InChI=1S/C25H21N5O5/c1-35-18-8-4-16-12-30(22(32)19(16)10-18)13-25(23(33)28-24(34)29-25)17-6-2-14(3-7-17)15-5-9-20(21(26)31)27-11-15/h2-12,32H,13H2,1H3,(H2,26,31)(H2,28,29,33,34)/t25-/m0/s1.
What are the key properties of 5-[4-[(4R)-4-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]phenyl]pyridine-2-carboxamide?
5-[4-[(4R)-4-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]phenyl]pyridine-2-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 5-[4-[(4R)-4-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 91035515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).