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

C20H17N5O3 — CID 122275349

IUPAC2-(1,3-dioxoisoindol-2-yl)-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]acetamide
SMILESCn1cc(-c2ncccc2CNC(=O)CN2C(=O)c3ccccc3C2=O)cn1
InChIInChI=1S/C20H17N5O3/c1-24-11-14(10-23-24)18-13(5-4-8-21-18)9-22-17(26)12-25-19(27)15-6-2-3-7-16(15)20(25)28/h2-8,10-11H,9,12H2,1H3,(H,22,26)
InChIKeyLCZFMTHZVCHBDL-UHFFFAOYSA-N
MW375.39 g/mol
LogP1.39
Rot. Bonds5

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

2-(1,3-dioxoisoindol-2-yl)-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]acetamide (PubChem CID 122275349) has the molecular formula C20H17N5O3 and a molecular weight of 375.39 g/mol. Its IUPAC name is 2-(1,3-dioxoisoindol-2-yl)-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]acetamide.

Molecular Properties

Compound Name2-(1,3-dioxoisoindol-2-yl)-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]acetamide
PubChem CID122275349
Molecular FormulaC20H17N5O3
Molecular Weight375.39 g/mol
Exact Mass375.13
IUPAC Name2-(1,3-dioxoisoindol-2-yl)-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]acetamide
SMILESCn1cc(-c2ncccc2CNC(=O)CN2C(=O)c3ccccc3C2=O)cn1
InChIInChI=1S/C20H17N5O3/c1-24-11-14(10-23-24)18-13(5-4-8-21-18)9-22-17(26)12-25-19(27)15-6-2-3-7-16(15)20(25)28/h2-8,10-11H,9,12H2,1H3,(H,22,26)
InChIKeyLCZFMTHZVCHBDL-UHFFFAOYSA-N
XLogP1.39
TPSA97.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.39
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methylamino]-2-oxoethyl]benzamide
CID 122275351
2-cyclopentyl-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]acetamide
CID 121022795
N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-2-thiophen-3-ylacetamide
CID 122275410
N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 121022822
1-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-3-propylurea
CID 122275511
1-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-3-(pyridin-3-ylmethyl)urea
CID 122275480
1-benzhydryl-3-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]urea
CID 122275518
4-ethyl-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-2,3-dioxopiperazine-1-carboxamide
CID 122275494
pyridin-2-ylmethyl N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]carbamate
CID 121022836
3-(4-methoxyphenyl)-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]propanamide
CID 122275254
3-(3,4-dichlorophenyl)-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]propanamide
CID 122275297
4-methoxy-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzamide
CID 122275224

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]acetamide?
The IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]acetamide (CID 122275349) is 2-(1,3-dioxoisoindol-2-yl)-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]acetamide.
What is the SMILES notation for 2-(1,3-dioxoisoindol-2-yl)-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]acetamide?
The canonical SMILES for 2-(1,3-dioxoisoindol-2-yl)-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]acetamide is Cn1cc(-c2ncccc2CNC(=O)CN2C(=O)c3ccccc3C2=O)cn1.
What is the InChIKey of 2-(1,3-dioxoisoindol-2-yl)-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]acetamide?
The InChIKey is LCZFMTHZVCHBDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O3/c1-24-11-14(10-23-24)18-13(5-4-8-21-18)9-22-17(26)12-25-19(27)15-6-2-3-7-16(15)20(25)28/h2-8,10-11H,9,12H2,1H3,(H,22,26).
What are the key properties of 2-(1,3-dioxoisoindol-2-yl)-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]acetamide?
2-(1,3-dioxoisoindol-2-yl)-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]acetamide has a molecular weight of 375.39 g/mol, XLogP of 1.39, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxoisoindol-2-yl)-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]acetamide is sourced from PubChem (CID 122275349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).