5-(1,3-dioxoisoindol-2-yl)-4-methyl-N-pyridin-2-ylpentanamide

C19H19N3O3 — CID 91114387

IUPAC5-(1,3-dioxoisoindol-2-yl)-4-methyl-N-pyridin-2-ylpentanamide
SMILESCC(CCC(=O)Nc1ccccn1)CN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C19H19N3O3/c1-13(9-10-17(23)21-16-8-4-5-11-20-16)12-22-18(24)14-6-2-3-7-15(14)19(22)25/h2-8,11,13H,9-10,12H2,1H3,(H,20,21,23)
InChIKeyYNNXYNIYRKUHIK-UHFFFAOYSA-N
MW337.38 g/mol
LogP2.73
Rot. Bonds6

About 5-(1,3-dioxoisoindol-2-yl)-4-methyl-N-pyridin-2-ylpentanamide

5-(1,3-dioxoisoindol-2-yl)-4-methyl-N-pyridin-2-ylpentanamide (PubChem CID 91114387) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is 5-(1,3-dioxoisoindol-2-yl)-4-methyl-N-pyridin-2-ylpentanamide.

Molecular Properties

Compound Name5-(1,3-dioxoisoindol-2-yl)-4-methyl-N-pyridin-2-ylpentanamide
PubChem CID91114387
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC Name5-(1,3-dioxoisoindol-2-yl)-4-methyl-N-pyridin-2-ylpentanamide
SMILESCC(CCC(=O)Nc1ccccn1)CN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C19H19N3O3/c1-13(9-10-17(23)21-16-8-4-5-11-20-16)12-22-18(24)14-6-2-3-7-15(14)19(22)25/h2-8,11,13H,9-10,12H2,1H3,(H,20,21,23)
InChIKeyYNNXYNIYRKUHIK-UHFFFAOYSA-N
XLogP2.73
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

N-(pyridin-2-yl)benzamide
CID 219990
Piketoprofen
CID 68801
4-(propan-2-yl)-N-(pyridin-2-yl)benzamide
CID 898760
1-(5-Chloro-2-pyridyl)-3-[2-(1,3-dioxoisoindolin-2-yl)ethyl]thiourea
CID 3001144
N-(5-methylpyridin-2-yl)-2,2-diphenylacetamide
CID 939927
4-Methyl-2-phthalimidopyridine
CID 10999049
2-methyl-N-pyridin-2-ylbenzamide
CID 799062
(1S,2S)-N-{4-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]phenyl}-2-(pyridin-3-yl)cyclopropane-1-carboxamide
CID 134814226
Nevirapin 2,4-Disubstituted deriv. 12a
CID 464562
N'-(Pyrrolidino(2,1-B)Isoindolin-4-On-8-Yl)-N-(Pyridin-2-Yl)Urea
CID 445840
2-(4-isobutylphenyl)-N-(3-methylpyridin-2-yl)propanamide
CID 6612586
5H-Benzo(c)(1,8)naphthyridin-6-one
CID 12342815

Frequently Asked Questions

What is the IUPAC name of 5-(1,3-dioxoisoindol-2-yl)-4-methyl-N-pyridin-2-ylpentanamide?
The IUPAC name of 5-(1,3-dioxoisoindol-2-yl)-4-methyl-N-pyridin-2-ylpentanamide (CID 91114387) is 5-(1,3-dioxoisoindol-2-yl)-4-methyl-N-pyridin-2-ylpentanamide.
What is the SMILES notation for 5-(1,3-dioxoisoindol-2-yl)-4-methyl-N-pyridin-2-ylpentanamide?
The canonical SMILES for 5-(1,3-dioxoisoindol-2-yl)-4-methyl-N-pyridin-2-ylpentanamide is CC(CCC(=O)Nc1ccccn1)CN1C(=O)c2ccccc2C1=O.
What is the InChIKey of 5-(1,3-dioxoisoindol-2-yl)-4-methyl-N-pyridin-2-ylpentanamide?
The InChIKey is YNNXYNIYRKUHIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3/c1-13(9-10-17(23)21-16-8-4-5-11-20-16)12-22-18(24)14-6-2-3-7-15(14)19(22)25/h2-8,11,13H,9-10,12H2,1H3,(H,20,21,23).
What are the key properties of 5-(1,3-dioxoisoindol-2-yl)-4-methyl-N-pyridin-2-ylpentanamide?
5-(1,3-dioxoisoindol-2-yl)-4-methyl-N-pyridin-2-ylpentanamide has a molecular weight of 337.38 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-dioxoisoindol-2-yl)-4-methyl-N-pyridin-2-ylpentanamide is sourced from PubChem (CID 91114387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).