5-chloro-N-[2-[(1S)-1-cyclopropyl-2-hydroxy-2-methylpropyl]-3-oxo-1H-isoindol-4-yl]-2-methoxy-3-methylpyridine-4-carboxamide

C23H26ClN3O4 — CID 163382456

IUPAC5-chloro-N-[2-[(1S)-1-cyclopropyl-2-hydroxy-2-methylpropyl]-3-oxo-1H-isoindol-4-yl]-2-methoxy-3-methylpyridine-4-carboxamide
SMILESCOc1ncc(Cl)c(C(=O)Nc2cccc3c2C(=O)N([C@@H](C2CC2)C(C)(C)O)C3)c1C
InChIInChI=1S/C23H26ClN3O4/c1-12-17(15(24)10-25-21(12)31-4)20(28)26-16-7-5-6-14-11-27(22(29)18(14)16)19(13-8-9-13)23(2,3)30/h5-7,10,13,19,30H,8-9,11H2,1-4H3,(H,26,28)/t19-/m0/s1
InChIKeyLSWDTRPHTQSKMK-IBGZPJMESA-N
MW443.93 g/mol
LogP3.81
Rot. Bonds6

About 5-chloro-N-[2-[(1S)-1-cyclopropyl-2-hydroxy-2-methylpropyl]-3-oxo-1H-isoindol-4-yl]-2-methoxy-3-methylpyridine-4-carboxamide

5-chloro-N-[2-[(1S)-1-cyclopropyl-2-hydroxy-2-methylpropyl]-3-oxo-1H-isoindol-4-yl]-2-methoxy-3-methylpyridine-4-carboxamide (PubChem CID 163382456) has the molecular formula C23H26ClN3O4 and a molecular weight of 443.93 g/mol. Its IUPAC name is 5-chloro-N-[2-[(1S)-1-cyclopropyl-2-hydroxy-2-methylpropyl]-3-oxo-1H-isoindol-4-yl]-2-methoxy-3-methylpyridine-4-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[2-[(1S)-1-cyclopropyl-2-hydroxy-2-methylpropyl]-3-oxo-1H-isoindol-4-yl]-2-methoxy-3-methylpyridine-4-carboxamide
PubChem CID163382456
Molecular FormulaC23H26ClN3O4
Molecular Weight443.93 g/mol
Exact Mass443.16
IUPAC Name5-chloro-N-[2-[(1S)-1-cyclopropyl-2-hydroxy-2-methylpropyl]-3-oxo-1H-isoindol-4-yl]-2-methoxy-3-methylpyridine-4-carboxamide
SMILESCOc1ncc(Cl)c(C(=O)Nc2cccc3c2C(=O)N([C@@H](C2CC2)C(C)(C)O)C3)c1C
InChIInChI=1S/C23H26ClN3O4/c1-12-17(15(24)10-25-21(12)31-4)20(28)26-16-7-5-6-14-11-27(22(29)18(14)16)19(13-8-9-13)23(2,3)30/h5-7,10,13,19,30H,8-9,11H2,1-4H3,(H,26,28)/t19-/m0/s1
InChIKeyLSWDTRPHTQSKMK-IBGZPJMESA-N
XLogP3.81
TPSA91.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.93
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-[(1S)-1-cyclopropyl-2-hydroxy-2-methylpropyl]-3-oxo-1H-isoindol-4-yl]-2-methoxy-3-methylpyridine-4-carboxamide?
The IUPAC name of 5-chloro-N-[2-[(1S)-1-cyclopropyl-2-hydroxy-2-methylpropyl]-3-oxo-1H-isoindol-4-yl]-2-methoxy-3-methylpyridine-4-carboxamide (CID 163382456) is 5-chloro-N-[2-[(1S)-1-cyclopropyl-2-hydroxy-2-methylpropyl]-3-oxo-1H-isoindol-4-yl]-2-methoxy-3-methylpyridine-4-carboxamide.
What is the SMILES notation for 5-chloro-N-[2-[(1S)-1-cyclopropyl-2-hydroxy-2-methylpropyl]-3-oxo-1H-isoindol-4-yl]-2-methoxy-3-methylpyridine-4-carboxamide?
The canonical SMILES for 5-chloro-N-[2-[(1S)-1-cyclopropyl-2-hydroxy-2-methylpropyl]-3-oxo-1H-isoindol-4-yl]-2-methoxy-3-methylpyridine-4-carboxamide is COc1ncc(Cl)c(C(=O)Nc2cccc3c2C(=O)N([C@@H](C2CC2)C(C)(C)O)C3)c1C.
What is the InChIKey of 5-chloro-N-[2-[(1S)-1-cyclopropyl-2-hydroxy-2-methylpropyl]-3-oxo-1H-isoindol-4-yl]-2-methoxy-3-methylpyridine-4-carboxamide?
The InChIKey is LSWDTRPHTQSKMK-IBGZPJMESA-N. The full InChI is InChI=1S/C23H26ClN3O4/c1-12-17(15(24)10-25-21(12)31-4)20(28)26-16-7-5-6-14-11-27(22(29)18(14)16)19(13-8-9-13)23(2,3)30/h5-7,10,13,19,30H,8-9,11H2,1-4H3,(H,26,28)/t19-/m0/s1.
What are the key properties of 5-chloro-N-[2-[(1S)-1-cyclopropyl-2-hydroxy-2-methylpropyl]-3-oxo-1H-isoindol-4-yl]-2-methoxy-3-methylpyridine-4-carboxamide?
5-chloro-N-[2-[(1S)-1-cyclopropyl-2-hydroxy-2-methylpropyl]-3-oxo-1H-isoindol-4-yl]-2-methoxy-3-methylpyridine-4-carboxamide has a molecular weight of 443.93 g/mol, XLogP of 3.81, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-[(1S)-1-cyclopropyl-2-hydroxy-2-methylpropyl]-3-oxo-1H-isoindol-4-yl]-2-methoxy-3-methylpyridine-4-carboxamide is sourced from PubChem (CID 163382456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).