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

C26H34N4O5 — CID 142501123

IUPACN-[2-(3-hydroxy-3-methylbutyl)-6-morpholin-4-yl-1-oxo-3H-isoindol-5-yl]-6-[(1R)-1-methoxyethyl]pyridine-2-carboxamide
SMILESCO[C@H](C)c1cccc(C(=O)Nc2cc3c(cc2N2CCOCC2)C(=O)N(CCC(C)(C)O)C3)n1
InChIInChI=1S/C26H34N4O5/c1-17(34-4)20-6-5-7-21(27-20)24(31)28-22-14-18-16-30(9-8-26(2,3)33)25(32)19(18)15-23(22)29-10-12-35-13-11-29/h5-7,14-15,17,33H,8-13,16H2,1-4H3,(H,28,31)/t17-/m1/s1
InChIKeyDPZZRYGBPAQQQC-QGZVFWFLSA-N
MW482.58 g/mol
LogP2.99
Rot. Bonds8

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

N-[2-(3-hydroxy-3-methylbutyl)-6-morpholin-4-yl-1-oxo-3H-isoindol-5-yl]-6-[(1R)-1-methoxyethyl]pyridine-2-carboxamide (PubChem CID 142501123) has the molecular formula C26H34N4O5 and a molecular weight of 482.58 g/mol. Its IUPAC name is N-[2-(3-hydroxy-3-methylbutyl)-6-morpholin-4-yl-1-oxo-3H-isoindol-5-yl]-6-[(1R)-1-methoxyethyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(3-hydroxy-3-methylbutyl)-6-morpholin-4-yl-1-oxo-3H-isoindol-5-yl]-6-[(1R)-1-methoxyethyl]pyridine-2-carboxamide
PubChem CID142501123
Molecular FormulaC26H34N4O5
Molecular Weight482.58 g/mol
Exact Mass482.25
IUPAC NameN-[2-(3-hydroxy-3-methylbutyl)-6-morpholin-4-yl-1-oxo-3H-isoindol-5-yl]-6-[(1R)-1-methoxyethyl]pyridine-2-carboxamide
SMILESCO[C@H](C)c1cccc(C(=O)Nc2cc3c(cc2N2CCOCC2)C(=O)N(CCC(C)(C)O)C3)n1
InChIInChI=1S/C26H34N4O5/c1-17(34-4)20-6-5-7-21(27-20)24(31)28-22-14-18-16-30(9-8-26(2,3)33)25(32)19(18)15-23(22)29-10-12-35-13-11-29/h5-7,14-15,17,33H,8-13,16H2,1-4H3,(H,28,31)/t17-/m1/s1
InChIKeyDPZZRYGBPAQQQC-QGZVFWFLSA-N
XLogP2.99
TPSA104.23 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.58
LogP ≤ 52.99
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

1-ethyl-N-[2-(3-hydroxy-3-methylbutyl)-6-morpholin-4-yl-1-oxo-3H-isoindol-5-yl]-2-oxopyridine-3-carboxamide
CID 142501027
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]-1-methyl-2-oxopyridine-3-carboxamide;2-methylprop-2-enenitrile
CID 142501115
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-[(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-(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-morpholin-4-yl-1-oxo-2-(2-pyrrolidin-1-ylethyl)-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137367426
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
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-[2-[4-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]piperazin-1-yl]-3,3-dimethyl-4-oxobutyl]-6-methoxy-1-oxo-3H-isoindol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 170036139
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
N-[2-[(2S)-2-fluoro-3-hydroxybutyl]-6-morpholin-4-yl-1-oxo-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 135354425

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-hydroxy-3-methylbutyl)-6-morpholin-4-yl-1-oxo-3H-isoindol-5-yl]-6-[(1R)-1-methoxyethyl]pyridine-2-carboxamide?
The IUPAC name of 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) is N-[2-(3-hydroxy-3-methylbutyl)-6-morpholin-4-yl-1-oxo-3H-isoindol-5-yl]-6-[(1R)-1-methoxyethyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[2-(3-hydroxy-3-methylbutyl)-6-morpholin-4-yl-1-oxo-3H-isoindol-5-yl]-6-[(1R)-1-methoxyethyl]pyridine-2-carboxamide?
The canonical SMILES for N-[2-(3-hydroxy-3-methylbutyl)-6-morpholin-4-yl-1-oxo-3H-isoindol-5-yl]-6-[(1R)-1-methoxyethyl]pyridine-2-carboxamide is CO[C@H](C)c1cccc(C(=O)Nc2cc3c(cc2N2CCOCC2)C(=O)N(CCC(C)(C)O)C3)n1.
What is the InChIKey of N-[2-(3-hydroxy-3-methylbutyl)-6-morpholin-4-yl-1-oxo-3H-isoindol-5-yl]-6-[(1R)-1-methoxyethyl]pyridine-2-carboxamide?
The InChIKey is DPZZRYGBPAQQQC-QGZVFWFLSA-N. The full InChI is InChI=1S/C26H34N4O5/c1-17(34-4)20-6-5-7-21(27-20)24(31)28-22-14-18-16-30(9-8-26(2,3)33)25(32)19(18)15-23(22)29-10-12-35-13-11-29/h5-7,14-15,17,33H,8-13,16H2,1-4H3,(H,28,31)/t17-/m1/s1.
What are the key properties of N-[2-(3-hydroxy-3-methylbutyl)-6-morpholin-4-yl-1-oxo-3H-isoindol-5-yl]-6-[(1R)-1-methoxyethyl]pyridine-2-carboxamide?
N-[2-(3-hydroxy-3-methylbutyl)-6-morpholin-4-yl-1-oxo-3H-isoindol-5-yl]-6-[(1R)-1-methoxyethyl]pyridine-2-carboxamide has a molecular weight of 482.58 g/mol, XLogP of 2.99, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-hydroxy-3-methylbutyl)-6-morpholin-4-yl-1-oxo-3H-isoindol-5-yl]-6-[(1R)-1-methoxyethyl]pyridine-2-carboxamide is sourced from PubChem (CID 142501123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).