2-hydroxy-2-[2-(7-methyl-1,8-naphthyridin-2-yl)-3-oxo-1H-isoindol-1-yl]pentanamide

C22H22N4O3 — CID 70374033

IUPAC2-hydroxy-2-[2-(7-methyl-1,8-naphthyridin-2-yl)-3-oxo-1H-isoindol-1-yl]pentanamide
SMILESCCCC(O)(C(N)=O)C1c2ccccc2C(=O)N1c1ccc2ccc(C)nc2n1
InChIInChI=1S/C22H22N4O3/c1-3-12-22(29,21(23)28)18-15-6-4-5-7-16(15)20(27)26(18)17-11-10-14-9-8-13(2)24-19(14)25-17/h4-11,18,29H,3,12H2,1-2H3,(H2,23,28)
InChIKeyTWJUNTQCIAJLHU-UHFFFAOYSA-N
MW390.44 g/mol
LogP2.66
Rot. Bonds5

About 2-hydroxy-2-[2-(7-methyl-1,8-naphthyridin-2-yl)-3-oxo-1H-isoindol-1-yl]pentanamide

2-hydroxy-2-[2-(7-methyl-1,8-naphthyridin-2-yl)-3-oxo-1H-isoindol-1-yl]pentanamide (PubChem CID 70374033) has the molecular formula C22H22N4O3 and a molecular weight of 390.44 g/mol. Its IUPAC name is 2-hydroxy-2-[2-(7-methyl-1,8-naphthyridin-2-yl)-3-oxo-1H-isoindol-1-yl]pentanamide.

Molecular Properties

Compound Name2-hydroxy-2-[2-(7-methyl-1,8-naphthyridin-2-yl)-3-oxo-1H-isoindol-1-yl]pentanamide
PubChem CID70374033
Molecular FormulaC22H22N4O3
Molecular Weight390.44 g/mol
Exact Mass390.17
IUPAC Name2-hydroxy-2-[2-(7-methyl-1,8-naphthyridin-2-yl)-3-oxo-1H-isoindol-1-yl]pentanamide
SMILESCCCC(O)(C(N)=O)C1c2ccccc2C(=O)N1c1ccc2ccc(C)nc2n1
InChIInChI=1S/C22H22N4O3/c1-3-12-22(29,21(23)28)18-15-6-4-5-7-16(15)20(27)26(18)17-11-10-14-9-8-13(2)24-19(14)25-17/h4-11,18,29H,3,12H2,1-2H3,(H2,23,28)
InChIKeyTWJUNTQCIAJLHU-UHFFFAOYSA-N
XLogP2.66
TPSA109.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-[2-(7-methyl-1,8-naphthyridin-2-yl)-3-oxo-1H-isoindol-1-yl]pentanamide?
The IUPAC name of 2-hydroxy-2-[2-(7-methyl-1,8-naphthyridin-2-yl)-3-oxo-1H-isoindol-1-yl]pentanamide (CID 70374033) is 2-hydroxy-2-[2-(7-methyl-1,8-naphthyridin-2-yl)-3-oxo-1H-isoindol-1-yl]pentanamide.
What is the SMILES notation for 2-hydroxy-2-[2-(7-methyl-1,8-naphthyridin-2-yl)-3-oxo-1H-isoindol-1-yl]pentanamide?
The canonical SMILES for 2-hydroxy-2-[2-(7-methyl-1,8-naphthyridin-2-yl)-3-oxo-1H-isoindol-1-yl]pentanamide is CCCC(O)(C(N)=O)C1c2ccccc2C(=O)N1c1ccc2ccc(C)nc2n1.
What is the InChIKey of 2-hydroxy-2-[2-(7-methyl-1,8-naphthyridin-2-yl)-3-oxo-1H-isoindol-1-yl]pentanamide?
The InChIKey is TWJUNTQCIAJLHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O3/c1-3-12-22(29,21(23)28)18-15-6-4-5-7-16(15)20(27)26(18)17-11-10-14-9-8-13(2)24-19(14)25-17/h4-11,18,29H,3,12H2,1-2H3,(H2,23,28).
What are the key properties of 2-hydroxy-2-[2-(7-methyl-1,8-naphthyridin-2-yl)-3-oxo-1H-isoindol-1-yl]pentanamide?
2-hydroxy-2-[2-(7-methyl-1,8-naphthyridin-2-yl)-3-oxo-1H-isoindol-1-yl]pentanamide has a molecular weight of 390.44 g/mol, XLogP of 2.66, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-[2-(7-methyl-1,8-naphthyridin-2-yl)-3-oxo-1H-isoindol-1-yl]pentanamide is sourced from PubChem (CID 70374033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).