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

C24H21N5O5 — CID 90971085

IUPACN-cyclopropyl-5-[2-[(4R)-4-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]pyridine-2-carboxamide
SMILESCOc1ccc2cn(C[C@@]3(C#Cc4ccc(C(=O)NC5CC5)nc4)NC(=O)NC3=O)c(O)c2c1
InChIInChI=1S/C24H21N5O5/c1-34-17-6-3-15-12-29(21(31)18(15)10-17)13-24(22(32)27-23(33)28-24)9-8-14-2-7-19(25-11-14)20(30)26-16-4-5-16/h2-3,6-7,10-12,16,31H,4-5,13H2,1H3,(H,26,30)(H2,27,28,32,33)/t24-/m1/s1
InChIKeyUWRSHVQWWVHVSL-XMMPIXPASA-N
MW459.46 g/mol
LogP1.27
Rot. Bonds5

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

N-cyclopropyl-5-[2-[(4R)-4-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]pyridine-2-carboxamide (PubChem CID 90971085) has the molecular formula C24H21N5O5 and a molecular weight of 459.46 g/mol. Its IUPAC name is N-cyclopropyl-5-[2-[(4R)-4-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-5-[2-[(4R)-4-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]pyridine-2-carboxamide
PubChem CID90971085
Molecular FormulaC24H21N5O5
Molecular Weight459.46 g/mol
Exact Mass459.15
IUPAC NameN-cyclopropyl-5-[2-[(4R)-4-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]pyridine-2-carboxamide
SMILESCOc1ccc2cn(C[C@@]3(C#Cc4ccc(C(=O)NC5CC5)nc4)NC(=O)NC3=O)c(O)c2c1
InChIInChI=1S/C24H21N5O5/c1-34-17-6-3-15-12-29(21(31)18(15)10-17)13-24(22(32)27-23(33)28-24)9-8-14-2-7-19(25-11-14)20(30)26-16-4-5-16/h2-3,6-7,10-12,16,31H,4-5,13H2,1H3,(H,26,30)(H2,27,28,32,33)/t24-/m1/s1
InChIKeyUWRSHVQWWVHVSL-XMMPIXPASA-N
XLogP1.27
TPSA134.58 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.46
LogP ≤ 51.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

(5R)-5-[2-(3,5-dichlorophenyl)ethynyl]-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]imidazolidine-2,4-dione
CID 91520006
4-[2-[(4R)-4-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]benzoic acid
CID 90980933
(5R)-5-[2-(1-hydroxy-2H-isoindol-5-yl)ethynyl]-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]imidazolidine-2,4-dione
CID 91049606
(5R)-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-5-[2-(2-methylindazol-6-yl)ethynyl]imidazolidine-2,4-dione
CID 91044443
(5R)-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-5-[2-[4-(nitrosomethyl)phenyl]ethynyl]imidazolidine-2,4-dione
CID 90970493
(5R)-5-[2-[4-[(1S)-1-aminoethyl]phenyl]ethynyl]-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]imidazolidine-2,4-dione
CID 91432973
(5R)-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-5-[2-[4-(N-methoxy-C-methylcarbonimidoyl)phenyl]ethynyl]imidazolidine-2,4-dione
CID 90968750
(5R)-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-5-[2-(2-methyl-1-benzofuran-5-yl)ethynyl]imidazolidine-2,4-dione
CID 91480768
5-[2-[4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]-N-methylpyridine-2-carboxamide
CID 76573663
(5S)-5-[2-(2,7-dimethyl-1H-imidazo[4,5-b]pyridin-6-yl)ethynyl]-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]imidazolidine-2,4-dione
CID 90890555
2-[2-[(4R)-4-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]benzonitrile
CID 91543401
(5R)-5-[2-(1-hydroxy-2H-isoindol-4-yl)ethynyl]-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]imidazolidine-2,4-dione
CID 91458603

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5-[2-[(4R)-4-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]pyridine-2-carboxamide?
The IUPAC name of N-cyclopropyl-5-[2-[(4R)-4-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]pyridine-2-carboxamide (CID 90971085) is N-cyclopropyl-5-[2-[(4R)-4-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]pyridine-2-carboxamide.
What is the SMILES notation for N-cyclopropyl-5-[2-[(4R)-4-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]pyridine-2-carboxamide?
The canonical SMILES for N-cyclopropyl-5-[2-[(4R)-4-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]pyridine-2-carboxamide is COc1ccc2cn(C[C@@]3(C#Cc4ccc(C(=O)NC5CC5)nc4)NC(=O)NC3=O)c(O)c2c1.
What is the InChIKey of N-cyclopropyl-5-[2-[(4R)-4-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]pyridine-2-carboxamide?
The InChIKey is UWRSHVQWWVHVSL-XMMPIXPASA-N. The full InChI is InChI=1S/C24H21N5O5/c1-34-17-6-3-15-12-29(21(31)18(15)10-17)13-24(22(32)27-23(33)28-24)9-8-14-2-7-19(25-11-14)20(30)26-16-4-5-16/h2-3,6-7,10-12,16,31H,4-5,13H2,1H3,(H,26,30)(H2,27,28,32,33)/t24-/m1/s1.
What are the key properties of N-cyclopropyl-5-[2-[(4R)-4-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]pyridine-2-carboxamide?
N-cyclopropyl-5-[2-[(4R)-4-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]pyridine-2-carboxamide has a molecular weight of 459.46 g/mol, XLogP of 1.27, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5-[2-[(4R)-4-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]pyridine-2-carboxamide is sourced from PubChem (CID 90971085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).