1-ethyl-N-[2-(3-hydroxy-3-methylbutyl)-6-morpholin-4-yl-1-oxo-3H-isoindol-5-yl]-2-oxopyridine-3-carboxamide

C25H32N4O5 — CID 142501027

IUPAC1-ethyl-N-[2-(3-hydroxy-3-methylbutyl)-6-morpholin-4-yl-1-oxo-3H-isoindol-5-yl]-2-oxopyridine-3-carboxamide
SMILESCCn1cccc(C(=O)Nc2cc3c(cc2N2CCOCC2)C(=O)N(CCC(C)(C)O)C3)c1=O
InChIInChI=1S/C25H32N4O5/c1-4-27-8-5-6-18(23(27)31)22(30)26-20-14-17-16-29(9-7-25(2,3)33)24(32)19(17)15-21(20)28-10-12-34-13-11-28/h5-6,8,14-15,33H,4,7,9-13,16H2,1-3H3,(H,26,30)
InChIKeyDZPMPUCAKVYZHN-UHFFFAOYSA-N
MW468.55 g/mol
LogP2.07
Rot. Bonds7

About 1-ethyl-N-[2-(3-hydroxy-3-methylbutyl)-6-morpholin-4-yl-1-oxo-3H-isoindol-5-yl]-2-oxopyridine-3-carboxamide

1-ethyl-N-[2-(3-hydroxy-3-methylbutyl)-6-morpholin-4-yl-1-oxo-3H-isoindol-5-yl]-2-oxopyridine-3-carboxamide (PubChem CID 142501027) has the molecular formula C25H32N4O5 and a molecular weight of 468.55 g/mol. Its IUPAC name is 1-ethyl-N-[2-(3-hydroxy-3-methylbutyl)-6-morpholin-4-yl-1-oxo-3H-isoindol-5-yl]-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-[2-(3-hydroxy-3-methylbutyl)-6-morpholin-4-yl-1-oxo-3H-isoindol-5-yl]-2-oxopyridine-3-carboxamide
PubChem CID142501027
Molecular FormulaC25H32N4O5
Molecular Weight468.55 g/mol
Exact Mass468.24
IUPAC Name1-ethyl-N-[2-(3-hydroxy-3-methylbutyl)-6-morpholin-4-yl-1-oxo-3H-isoindol-5-yl]-2-oxopyridine-3-carboxamide
SMILESCCn1cccc(C(=O)Nc2cc3c(cc2N2CCOCC2)C(=O)N(CCC(C)(C)O)C3)c1=O
InChIInChI=1S/C25H32N4O5/c1-4-27-8-5-6-18(23(27)31)22(30)26-20-14-17-16-29(9-7-25(2,3)33)24(32)19(17)15-21(20)28-10-12-34-13-11-28/h5-6,8,14-15,33H,4,7,9-13,16H2,1-3H3,(H,26,30)
InChIKeyDZPMPUCAKVYZHN-UHFFFAOYSA-N
XLogP2.07
TPSA104.11 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.55
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

N-[2-(3-hydroxy-3-methylbutyl)-6-morpholin-4-yl-1-oxo-3H-isoindol-5-yl]-1-methyl-2-oxopyridine-3-carboxamide;2-methylprop-2-enenitrile
CID 142501115
N-[2-(3-hydroxy-3-methylbutyl)-6-morpholin-4-yl-1-oxo-3H-isoindol-5-yl]-5-methyl-4-oxopyrazolo[1,5-a]pyrazine-3-carboxamide
CID 142501046
N-[2-(3-hydroxy-3-methylbutyl)-6-morpholin-4-yl-1-oxo-3H-isoindol-5-yl]-6-[(1R)-1-methoxyethyl]pyridine-2-carboxamide
CID 142501123
N-[2-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-6-morpholin-4-yl-1-oxo-3H-isoindol-5-yl]-1H-benzimidazole-4-carboxamide
CID 146473732
N-[2-(2,2-difluoro-3-hydroxy-3-methylbutyl)-6-morpholin-4-yl-1-oxo-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 129298092
N-[6-morpholin-4-yl-1-oxo-2-(2-pyrrolidin-1-ylethyl)-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137367426
5-chloro-N-[2-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-6-morpholin-4-yl-1-oxo-3H-isoindol-5-yl]-1-methylpyrazole-4-carboxamide
CID 142501121
N-[2-(3-hydroxy-3-methylbutyl)-6-[6-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]-1-oxo-3H-isoindol-5-yl]-4-methyl-5H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 142501633
N-[6-ethyl-2-(3-hydroxy-3-methylbutyl)-1-oxo-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 129298591
N-[2-(2,2-difluoro-3-hydroxypropyl)-6-morpholin-4-yl-1-oxo-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 129298093
N-[6-morpholin-4-yl-2-(2-morpholin-4-ylpropyl)-1-oxo-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 135354409
6-chloro-N-[2-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-6-morpholin-4-yl-1-oxo-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 129298089

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[2-(3-hydroxy-3-methylbutyl)-6-morpholin-4-yl-1-oxo-3H-isoindol-5-yl]-2-oxopyridine-3-carboxamide?
The IUPAC name of 1-ethyl-N-[2-(3-hydroxy-3-methylbutyl)-6-morpholin-4-yl-1-oxo-3H-isoindol-5-yl]-2-oxopyridine-3-carboxamide (CID 142501027) is 1-ethyl-N-[2-(3-hydroxy-3-methylbutyl)-6-morpholin-4-yl-1-oxo-3H-isoindol-5-yl]-2-oxopyridine-3-carboxamide.
What is the SMILES notation for 1-ethyl-N-[2-(3-hydroxy-3-methylbutyl)-6-morpholin-4-yl-1-oxo-3H-isoindol-5-yl]-2-oxopyridine-3-carboxamide?
The canonical SMILES for 1-ethyl-N-[2-(3-hydroxy-3-methylbutyl)-6-morpholin-4-yl-1-oxo-3H-isoindol-5-yl]-2-oxopyridine-3-carboxamide is CCn1cccc(C(=O)Nc2cc3c(cc2N2CCOCC2)C(=O)N(CCC(C)(C)O)C3)c1=O.
What is the InChIKey of 1-ethyl-N-[2-(3-hydroxy-3-methylbutyl)-6-morpholin-4-yl-1-oxo-3H-isoindol-5-yl]-2-oxopyridine-3-carboxamide?
The InChIKey is DZPMPUCAKVYZHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O5/c1-4-27-8-5-6-18(23(27)31)22(30)26-20-14-17-16-29(9-7-25(2,3)33)24(32)19(17)15-21(20)28-10-12-34-13-11-28/h5-6,8,14-15,33H,4,7,9-13,16H2,1-3H3,(H,26,30).
What are the key properties of 1-ethyl-N-[2-(3-hydroxy-3-methylbutyl)-6-morpholin-4-yl-1-oxo-3H-isoindol-5-yl]-2-oxopyridine-3-carboxamide?
1-ethyl-N-[2-(3-hydroxy-3-methylbutyl)-6-morpholin-4-yl-1-oxo-3H-isoindol-5-yl]-2-oxopyridine-3-carboxamide has a molecular weight of 468.55 g/mol, XLogP of 2.07, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[2-(3-hydroxy-3-methylbutyl)-6-morpholin-4-yl-1-oxo-3H-isoindol-5-yl]-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 142501027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).