3-(1,3-dioxoisoindol-2-yl)-N-[(1-methyl-2-oxo-3-pyridinyl)methyl]propanamide

C18H17N3O4 — CID 110730354

IUPAC3-(1,3-dioxoisoindol-2-yl)-N-[(1-methyl-2-oxo-3-pyridinyl)methyl]propanamide
SMILESCn1cccc(CNC(=O)CCN2C(=O)c3ccccc3C2=O)c1=O
InChIInChI=1S/C18H17N3O4/c1-20-9-4-5-12(16(20)23)11-19-15(22)8-10-21-17(24)13-6-2-3-7-14(13)18(21)25/h2-7,9H,8,10-11H2,1H3,(H,19,22)
InChIKeyFOFZFEXAVAHOOQ-UHFFFAOYSA-N
MW339.35 g/mol
LogP0.69
Rot. Bonds5

About 3-(1,3-dioxoisoindol-2-yl)-N-[(1-methyl-2-oxo-3-pyridinyl)methyl]propanamide

3-(1,3-dioxoisoindol-2-yl)-N-[(1-methyl-2-oxo-3-pyridinyl)methyl]propanamide (PubChem CID 110730354) has the molecular formula C18H17N3O4 and a molecular weight of 339.35 g/mol. Its IUPAC name is 3-(1,3-dioxoisoindol-2-yl)-N-[(1-methyl-2-oxo-3-pyridinyl)methyl]propanamide.

Molecular Properties

Compound Name3-(1,3-dioxoisoindol-2-yl)-N-[(1-methyl-2-oxo-3-pyridinyl)methyl]propanamide
PubChem CID110730354
Molecular FormulaC18H17N3O4
Molecular Weight339.35 g/mol
Exact Mass339.12
IUPAC Name3-(1,3-dioxoisoindol-2-yl)-N-[(1-methyl-2-oxo-3-pyridinyl)methyl]propanamide
SMILESCn1cccc(CNC(=O)CCN2C(=O)c3ccccc3C2=O)c1=O
InChIInChI=1S/C18H17N3O4/c1-20-9-4-5-12(16(20)23)11-19-15(22)8-10-21-17(24)13-6-2-3-7-14(13)18(21)25/h2-7,9H,8,10-11H2,1H3,(H,19,22)
InChIKeyFOFZFEXAVAHOOQ-UHFFFAOYSA-N
XLogP0.69
TPSA88.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(1-methyl-2-oxo-3-pyridinyl)methyl]pentanamide
CID 110730308
N-[(1-methyl-2-oxo-3-pyridinyl)methyl]-2-phenylacetamide
CID 110730343
3-(5-methyl-1,3-dioxoisoindol-2-yl)-N-[(2-propan-2-yloxyphenyl)methyl]propanamide
CID 55907455
N-[(1-methyl-2-oxo-3-pyridinyl)methyl]-3-thiophen-2-ylpropanamide
CID 110730380
N-[(2-fluorophenyl)methyl]-3-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide
CID 30438801
3-(1,3-dioxoisoindol-2-yl)-N-[2-(2-fluorophenyl)ethyl]propanamide
CID 8636592
3-(3-fluorophenyl)-N-[(1-methyl-2-oxo-3-pyridinyl)methyl]propanamide
CID 110730389
N-[[2-(methoxymethyl)phenyl]methyl]-3-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide
CID 32603613
tert-butyl N-[3-[2-[[3-(1,3-dioxoisoindol-2-yl)propanoylamino]methyl]anilino]-3-oxopropyl]carbamate
CID 108920858
3-(1,3-dioxoisoindol-2-yl)-N-[(2-methyl-1,3-oxazol-4-yl)methyl]propanamide
CID 110714611
N-[2-[[(2-cyanoacetyl)amino]methyl]phenyl]-3-(1,3-dioxoisoindol-2-yl)propanamide
CID 108923539
3-(1,3-dioxoisoindol-2-yl)-N-[2-[2-[3-(1,3-dioxoisoindol-2-yl)propanoylamino]ethyldisulfanyl]ethyl]propanamide
CID 56842591

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-dioxoisoindol-2-yl)-N-[(1-methyl-2-oxo-3-pyridinyl)methyl]propanamide?
The IUPAC name of 3-(1,3-dioxoisoindol-2-yl)-N-[(1-methyl-2-oxo-3-pyridinyl)methyl]propanamide (CID 110730354) is 3-(1,3-dioxoisoindol-2-yl)-N-[(1-methyl-2-oxo-3-pyridinyl)methyl]propanamide.
What is the SMILES notation for 3-(1,3-dioxoisoindol-2-yl)-N-[(1-methyl-2-oxo-3-pyridinyl)methyl]propanamide?
The canonical SMILES for 3-(1,3-dioxoisoindol-2-yl)-N-[(1-methyl-2-oxo-3-pyridinyl)methyl]propanamide is Cn1cccc(CNC(=O)CCN2C(=O)c3ccccc3C2=O)c1=O.
What is the InChIKey of 3-(1,3-dioxoisoindol-2-yl)-N-[(1-methyl-2-oxo-3-pyridinyl)methyl]propanamide?
The InChIKey is FOFZFEXAVAHOOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O4/c1-20-9-4-5-12(16(20)23)11-19-15(22)8-10-21-17(24)13-6-2-3-7-14(13)18(21)25/h2-7,9H,8,10-11H2,1H3,(H,19,22).
What are the key properties of 3-(1,3-dioxoisoindol-2-yl)-N-[(1-methyl-2-oxo-3-pyridinyl)methyl]propanamide?
3-(1,3-dioxoisoindol-2-yl)-N-[(1-methyl-2-oxo-3-pyridinyl)methyl]propanamide has a molecular weight of 339.35 g/mol, XLogP of 0.69, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-dioxoisoindol-2-yl)-N-[(1-methyl-2-oxo-3-pyridinyl)methyl]propanamide is sourced from PubChem (CID 110730354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).