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

C22H22N4O3 — CID 19867647

IUPAC2-hydroxy-2-[2-(7-methyl-1,8-naphthyridin-2-yl)-3-oxo-1H-isoindol-1-yl]-N-propylacetamide
SMILESCCCNC(=O)C(O)C1c2ccccc2C(=O)N1c1ccc2ccc(C)nc2n1
InChIInChI=1S/C22H22N4O3/c1-3-12-23-21(28)19(27)18-15-6-4-5-7-16(15)22(29)26(18)17-11-10-14-9-8-13(2)24-20(14)25-17/h4-11,18-19,27H,3,12H2,1-2H3,(H,23,28)
InChIKeyGTPACGCSFUCFCY-UHFFFAOYSA-N
MW390.44 g/mol
LogP2.53
Rot. Bonds5

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

2-hydroxy-2-[2-(7-methyl-1,8-naphthyridin-2-yl)-3-oxo-1H-isoindol-1-yl]-N-propylacetamide (PubChem CID 19867647) 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]-N-propylacetamide.

Molecular Properties

Compound Name2-hydroxy-2-[2-(7-methyl-1,8-naphthyridin-2-yl)-3-oxo-1H-isoindol-1-yl]-N-propylacetamide
PubChem CID19867647
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]-N-propylacetamide
SMILESCCCNC(=O)C(O)C1c2ccccc2C(=O)N1c1ccc2ccc(C)nc2n1
InChIInChI=1S/C22H22N4O3/c1-3-12-23-21(28)19(27)18-15-6-4-5-7-16(15)22(29)26(18)17-11-10-14-9-8-13(2)24-20(14)25-17/h4-11,18-19,27H,3,12H2,1-2H3,(H,23,28)
InChIKeyGTPACGCSFUCFCY-UHFFFAOYSA-N
XLogP2.53
TPSA95.42 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 ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-N-butyl-3-N-[(1R,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]propan-2-yl]-1-N-methylpyrrolo[2,3-b]pyridine-1,3-dicarboxamide
CID 57400930
1-N-butyl-3-N-[(1R,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-(1,2,3,4-tetrahydroisoquinolin-3-yl)propan-2-yl]-1-N-methylpyrrolo[2,3-b]pyridine-1,3-dicarboxamide
CID 24997669
2-[(1R,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-(1,2,3,4-tetrahydroisoquinolin-3-yl)propan-2-yl]-1-N-methylpyrrolo[2,3-b]pyridine-1,3-dicarboxamide
CID 67272068
1-N-[(1R,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-(1,2,3,4-tetrahydroisoquinolin-3-yl)propan-2-yl]-1-N-methylpyrrolo[2,3-b]pyridine-1,3-dicarboxamide
CID 67272069
2-N,7-N-bis[2-[[(1S)-2-hydroxy-1-phenylethyl]amino]-2-oxoethyl]-1,8-naphthyridine-2,7-dicarboxamide
CID 178340932
[2-(7-bromo-1,8-naphthyridin-2-yl)-3-oxo-1-isoindolinyl]-N-propylglycolamide
CID 19867687
2-(7-Methyl-1,8-naphthyridin-2-yl)-3-hydroxy-1-isoindolinone
CID 19900439
2-(7-Cyano-1,8-naphthyridin-2-yl)-3-hydroxy-isoindolin-1-one
CID 21422090
1-tert-butyl-N-(2-hydroxy-1-phenylethyl)-6-[(4-methylbenzoyl)amino]pyrrolo[2,3-b]pyridine-3-carboxamide
CID 68807619
1-tert-butyl-N-[(1S)-2-hydroxy-1-phenylethyl]-6-[(4-methylbenzoyl)amino]pyrrolo[2,3-b]pyridine-3-carboxamide
CID 69028934
(8R)-8-hydroxy-2,3-dimethyl-5-phenyl-9,10-dihydro-8H-imidazo[1,2-h][1,7]naphthyridin-7-one
CID 69931246
2-hydroxy-2-[2-(7-methyl-1,8-naphthyridin-2-yl)-3-oxo-1H-isoindol-1-yl]pentanamide
CID 70374033

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]-N-propylacetamide?
The IUPAC name of 2-hydroxy-2-[2-(7-methyl-1,8-naphthyridin-2-yl)-3-oxo-1H-isoindol-1-yl]-N-propylacetamide (CID 19867647) is 2-hydroxy-2-[2-(7-methyl-1,8-naphthyridin-2-yl)-3-oxo-1H-isoindol-1-yl]-N-propylacetamide.
What is the SMILES notation for 2-hydroxy-2-[2-(7-methyl-1,8-naphthyridin-2-yl)-3-oxo-1H-isoindol-1-yl]-N-propylacetamide?
The canonical SMILES for 2-hydroxy-2-[2-(7-methyl-1,8-naphthyridin-2-yl)-3-oxo-1H-isoindol-1-yl]-N-propylacetamide is CCCNC(=O)C(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]-N-propylacetamide?
The InChIKey is GTPACGCSFUCFCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O3/c1-3-12-23-21(28)19(27)18-15-6-4-5-7-16(15)22(29)26(18)17-11-10-14-9-8-13(2)24-20(14)25-17/h4-11,18-19,27H,3,12H2,1-2H3,(H,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]-N-propylacetamide?
2-hydroxy-2-[2-(7-methyl-1,8-naphthyridin-2-yl)-3-oxo-1H-isoindol-1-yl]-N-propylacetamide has a molecular weight of 390.44 g/mol, XLogP of 2.53, 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]-N-propylacetamide is sourced from PubChem (CID 19867647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).