N-[4-(1,3-dioxoisoindol-2-yl)-2-methyl-3-pyridinyl]acetamide

C16H13N3O3 — CID 135015044

IUPACN-[4-(1,3-dioxoisoindol-2-yl)-2-methyl-3-pyridinyl]acetamide
SMILESCC(=O)Nc1c(N2C(=O)c3ccccc3C2=O)ccnc1C
InChIInChI=1S/C16H13N3O3/c1-9-14(18-10(2)20)13(7-8-17-9)19-15(21)11-5-3-4-6-12(11)16(19)22/h3-8H,1-2H3,(H,18,20)
InChIKeyGCOVFFSVXYSVID-UHFFFAOYSA-N
MW295.30 g/mol
LogP2.15
Rot. Bonds2

About N-[4-(1,3-dioxoisoindol-2-yl)-2-methyl-3-pyridinyl]acetamide

N-[4-(1,3-dioxoisoindol-2-yl)-2-methyl-3-pyridinyl]acetamide (PubChem CID 135015044) has the molecular formula C16H13N3O3 and a molecular weight of 295.30 g/mol. Its IUPAC name is N-[4-(1,3-dioxoisoindol-2-yl)-2-methyl-3-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[4-(1,3-dioxoisoindol-2-yl)-2-methyl-3-pyridinyl]acetamide
PubChem CID135015044
Molecular FormulaC16H13N3O3
Molecular Weight295.30 g/mol
Exact Mass295.10
IUPAC NameN-[4-(1,3-dioxoisoindol-2-yl)-2-methyl-3-pyridinyl]acetamide
SMILESCC(=O)Nc1c(N2C(=O)c3ccccc3C2=O)ccnc1C
InChIInChI=1S/C16H13N3O3/c1-9-14(18-10(2)20)13(7-8-17-9)19-15(21)11-5-3-4-6-12(11)16(19)22/h3-8H,1-2H3,(H,18,20)
InChIKeyGCOVFFSVXYSVID-UHFFFAOYSA-N
XLogP2.15
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 52.15
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

4-acetamido-2-(1,3-dioxoisoindol-2-yl)benzenesulfonic acid
CID 168516133
6-(2-acetylphenyl)pyrrolo[3,4-b]pyridine-5,7-dione
CID 79671598
N-[2-(1,3-dioxoisoindol-2-yl)-4-methoxyphenyl]acetamide
CID 10335547
6-(2-methylphenyl)pyrrolo[3,4-b]pyridine-5,7-dione
CID 695615
N-[3-(1,3-dioxoisoindol-2-yl)-2-methylphenyl]furan-2-carboxamide
CID 168516704
2-pyrimidin-2-ylisoindole-1,3-dione
CID 660266
N-[4-(1,3-dioxoisoindol-2-yl)phenyl]sulfonylacetamide
CID 680996
N-[2,6-bis(4-methylphenyl)phenyl]acetamide
CID 11278492
4-chloro-3-(1,3-dioxoisoindol-2-yl)-N-(4-methylphenyl)benzamide
CID 2226714
2-(3-methyl-2-pyridinyl)isoindole-1,3-dione
CID 10609961
N-[2-(1,3-dioxoisoindol-2-yl)-4-methylphenyl]-2-methylpropanamide
CID 168516887
2-(2-acetylphenyl)pyrrolo[3,4-c]pyridine-1,3-dione
CID 79671111

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,3-dioxoisoindol-2-yl)-2-methyl-3-pyridinyl]acetamide?
The IUPAC name of N-[4-(1,3-dioxoisoindol-2-yl)-2-methyl-3-pyridinyl]acetamide (CID 135015044) is N-[4-(1,3-dioxoisoindol-2-yl)-2-methyl-3-pyridinyl]acetamide.
What is the SMILES notation for N-[4-(1,3-dioxoisoindol-2-yl)-2-methyl-3-pyridinyl]acetamide?
The canonical SMILES for N-[4-(1,3-dioxoisoindol-2-yl)-2-methyl-3-pyridinyl]acetamide is CC(=O)Nc1c(N2C(=O)c3ccccc3C2=O)ccnc1C.
What is the InChIKey of N-[4-(1,3-dioxoisoindol-2-yl)-2-methyl-3-pyridinyl]acetamide?
The InChIKey is GCOVFFSVXYSVID-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O3/c1-9-14(18-10(2)20)13(7-8-17-9)19-15(21)11-5-3-4-6-12(11)16(19)22/h3-8H,1-2H3,(H,18,20).
What are the key properties of N-[4-(1,3-dioxoisoindol-2-yl)-2-methyl-3-pyridinyl]acetamide?
N-[4-(1,3-dioxoisoindol-2-yl)-2-methyl-3-pyridinyl]acetamide has a molecular weight of 295.30 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,3-dioxoisoindol-2-yl)-2-methyl-3-pyridinyl]acetamide is sourced from PubChem (CID 135015044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).