N-(2-cyclobutyloxypyrimidin-4-yl)-2-(2-hydroxy-6-oxopiperidin-3-yl)-1-oxo-3H-isoindole-5-carboxamide

C22H23N5O5 — CID 176971917

IUPACN-(2-cyclobutyloxypyrimidin-4-yl)-2-(2-hydroxy-6-oxopiperidin-3-yl)-1-oxo-3H-isoindole-5-carboxamide
SMILESO=C1CCC(N2Cc3cc(C(=O)Nc4ccnc(OC5CCC5)n4)ccc3C2=O)C(O)N1
InChIInChI=1S/C22H23N5O5/c28-18-7-6-16(20(30)26-18)27-11-13-10-12(4-5-15(13)21(27)31)19(29)24-17-8-9-23-22(25-17)32-14-2-1-3-14/h4-5,8-10,14,16,20,30H,1-3,6-7,11H2,(H,26,28)(H,23,24,25,29)
InChIKeyZHBGXQVMKLAUFO-UHFFFAOYSA-N
MW437.46 g/mol
LogP1.21
Rot. Bonds5

About N-(2-cyclobutyloxypyrimidin-4-yl)-2-(2-hydroxy-6-oxopiperidin-3-yl)-1-oxo-3H-isoindole-5-carboxamide

N-(2-cyclobutyloxypyrimidin-4-yl)-2-(2-hydroxy-6-oxopiperidin-3-yl)-1-oxo-3H-isoindole-5-carboxamide (PubChem CID 176971917) has the molecular formula C22H23N5O5 and a molecular weight of 437.46 g/mol. Its IUPAC name is N-(2-cyclobutyloxypyrimidin-4-yl)-2-(2-hydroxy-6-oxopiperidin-3-yl)-1-oxo-3H-isoindole-5-carboxamide.

Molecular Properties

Compound NameN-(2-cyclobutyloxypyrimidin-4-yl)-2-(2-hydroxy-6-oxopiperidin-3-yl)-1-oxo-3H-isoindole-5-carboxamide
PubChem CID176971917
Molecular FormulaC22H23N5O5
Molecular Weight437.46 g/mol
Exact Mass437.17
IUPAC NameN-(2-cyclobutyloxypyrimidin-4-yl)-2-(2-hydroxy-6-oxopiperidin-3-yl)-1-oxo-3H-isoindole-5-carboxamide
SMILESO=C1CCC(N2Cc3cc(C(=O)Nc4ccnc(OC5CCC5)n4)ccc3C2=O)C(O)N1
InChIInChI=1S/C22H23N5O5/c28-18-7-6-16(20(30)26-18)27-11-13-10-12(4-5-15(13)21(27)31)19(29)24-17-8-9-23-22(25-17)32-14-2-1-3-14/h4-5,8-10,14,16,20,30H,1-3,6-7,11H2,(H,26,28)(H,23,24,25,29)
InChIKeyZHBGXQVMKLAUFO-UHFFFAOYSA-N
XLogP1.21
TPSA133.75 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.46
LogP ≤ 51.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4,6-di(cyclobutyloxy)pyrimidin-2-yl]-2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindole-5-carboxamide
CID 176972033
2-(2-hydroxy-6-oxopiperidin-3-yl)-5-propan-2-yloxy-3H-isoindol-1-one
CID 146518003
2-[(3R)-2-hydroxy-6-oxopiperidin-3-yl]-3H-isoindol-1-one
CID 146547624
2-(2-hydroxy-6-oxopiperidin-3-yl)-5-[(1R,2R)-2-(4-methylpiperidin-1-yl)cyclopentyl]oxy-3H-isoindol-1-one
CID 170102306
2-(2-hydroxy-6-oxopiperidin-3-yl)-5-(1-methyl-5-quinoxalin-6-ylpyrazol-4-yl)-3H-isoindol-1-one
CID 171075744
2-(2-hydroxy-6-oxopiperidin-3-yl)-5-(methylsulfanylmethyl)-3H-isoindol-1-one
CID 166845794
N-[2-(2-hydroxy-6-oxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]carbamoyl iodide
CID 156528084
5-[5-(4-chlorophenyl)-1-methylpyrazol-4-yl]-2-(2-hydroxy-6-oxopiperidin-3-yl)-3H-isoindol-1-one
CID 174283336
N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-6-methoxynaphthalene-2-carboxamide
CID 166819388
2-(2,6-dioxopiperidin-3-yl)-1-oxo-N-[4-(oxolan-3-ylmethyl)pyrimidin-2-yl]-3H-isoindole-5-carboxamide
CID 176971937
2-(2-hydroxy-6-oxopiperidin-3-yl)-6-piperazin-1-yl-1H-pyrrolo[3,4-c]pyridin-3-one
CID 167241836
4-bromo-2-(2-hydroxy-6-oxopiperidin-3-yl)-3H-isoindol-1-one
CID 134359464

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclobutyloxypyrimidin-4-yl)-2-(2-hydroxy-6-oxopiperidin-3-yl)-1-oxo-3H-isoindole-5-carboxamide?
The IUPAC name of N-(2-cyclobutyloxypyrimidin-4-yl)-2-(2-hydroxy-6-oxopiperidin-3-yl)-1-oxo-3H-isoindole-5-carboxamide (CID 176971917) is N-(2-cyclobutyloxypyrimidin-4-yl)-2-(2-hydroxy-6-oxopiperidin-3-yl)-1-oxo-3H-isoindole-5-carboxamide.
What is the SMILES notation for N-(2-cyclobutyloxypyrimidin-4-yl)-2-(2-hydroxy-6-oxopiperidin-3-yl)-1-oxo-3H-isoindole-5-carboxamide?
The canonical SMILES for N-(2-cyclobutyloxypyrimidin-4-yl)-2-(2-hydroxy-6-oxopiperidin-3-yl)-1-oxo-3H-isoindole-5-carboxamide is O=C1CCC(N2Cc3cc(C(=O)Nc4ccnc(OC5CCC5)n4)ccc3C2=O)C(O)N1.
What is the InChIKey of N-(2-cyclobutyloxypyrimidin-4-yl)-2-(2-hydroxy-6-oxopiperidin-3-yl)-1-oxo-3H-isoindole-5-carboxamide?
The InChIKey is ZHBGXQVMKLAUFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O5/c28-18-7-6-16(20(30)26-18)27-11-13-10-12(4-5-15(13)21(27)31)19(29)24-17-8-9-23-22(25-17)32-14-2-1-3-14/h4-5,8-10,14,16,20,30H,1-3,6-7,11H2,(H,26,28)(H,23,24,25,29).
What are the key properties of N-(2-cyclobutyloxypyrimidin-4-yl)-2-(2-hydroxy-6-oxopiperidin-3-yl)-1-oxo-3H-isoindole-5-carboxamide?
N-(2-cyclobutyloxypyrimidin-4-yl)-2-(2-hydroxy-6-oxopiperidin-3-yl)-1-oxo-3H-isoindole-5-carboxamide has a molecular weight of 437.46 g/mol, XLogP of 1.21, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclobutyloxypyrimidin-4-yl)-2-(2-hydroxy-6-oxopiperidin-3-yl)-1-oxo-3H-isoindole-5-carboxamide is sourced from PubChem (CID 176971917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).