2-(1,3-dioxoisoindol-2-yl)-N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]propanamide

C23H23N7O3 — CID 122326923

IUPAC2-(1,3-dioxoisoindol-2-yl)-N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]propanamide
SMILESCc1ccc(Nc2ccc(NCCNC(=O)C(C)N3C(=O)c4ccccc4C3=O)nn2)nc1
InChIInChI=1S/C23H23N7O3/c1-14-7-8-18(26-13-14)27-20-10-9-19(28-29-20)24-11-12-25-21(31)15(2)30-22(32)16-5-3-4-6-17(16)23(30)33/h3-10,13,15H,11-12H2,1-2H3,(H,24,28)(H,25,31)(H,26,27,29)
InChIKeyFXTUCDNTGRNBFL-UHFFFAOYSA-N
MW445.48 g/mol
LogP2.14
Rot. Bonds8

About 2-(1,3-dioxoisoindol-2-yl)-N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]propanamide

2-(1,3-dioxoisoindol-2-yl)-N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]propanamide (PubChem CID 122326923) has the molecular formula C23H23N7O3 and a molecular weight of 445.48 g/mol. Its IUPAC name is 2-(1,3-dioxoisoindol-2-yl)-N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]propanamide.

Molecular Properties

Compound Name2-(1,3-dioxoisoindol-2-yl)-N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]propanamide
PubChem CID122326923
Molecular FormulaC23H23N7O3
Molecular Weight445.48 g/mol
Exact Mass445.19
IUPAC Name2-(1,3-dioxoisoindol-2-yl)-N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]propanamide
SMILESCc1ccc(Nc2ccc(NCCNC(=O)C(C)N3C(=O)c4ccccc4C3=O)nn2)nc1
InChIInChI=1S/C23H23N7O3/c1-14-7-8-18(26-13-14)27-20-10-9-19(28-29-20)24-11-12-25-21(31)15(2)30-22(32)16-5-3-4-6-17(16)23(30)33/h3-10,13,15H,11-12H2,1-2H3,(H,24,28)(H,25,31)(H,26,27,29)
InChIKeyFXTUCDNTGRNBFL-UHFFFAOYSA-N
XLogP2.14
TPSA129.21 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.48
LogP ≤ 52.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 2-(1,3-dioxoisoindol-2-yl)-N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]propanamide 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-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]benzamide
CID 70702534
N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]-2-naphthalen-1-ylacetamide
CID 122326850
N-[2-[2-(1,3-dioxoisoindol-2-yl)propanoylamino]ethyl]-4-methylbenzamide
CID 108537941
(E)-N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]-3-phenylprop-2-enamide
CID 122326707
(2S)-2-(1,3-dioxoisoindol-2-yl)-N-[2-(4-methylphenoxy)ethyl]propanamide
CID 51417174
1,3,5-trimethyl-N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]pyrazole-4-carboxamide
CID 122326916
2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]acetamide
CID 122326929
5-methyl-N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]pyrazine-2-carboxamide
CID 122326959
(2S)-2-(1,3-dioxoisoindol-2-yl)-N-[2-[(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)amino]ethyl]propanamide
CID 122289934
N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]-4-(trifluoromethyl)benzamide
CID 56919617
4-methyl-N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]-1,3-thiazole-5-carboxamide
CID 122326956
2-[2-[2-(1,3-dioxoisoindol-2-yl)propanoylamino]ethoxy]propanoic acid
CID 110495187

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]propanamide?
The IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]propanamide (CID 122326923) is 2-(1,3-dioxoisoindol-2-yl)-N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]propanamide.
What is the SMILES notation for 2-(1,3-dioxoisoindol-2-yl)-N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]propanamide?
The canonical SMILES for 2-(1,3-dioxoisoindol-2-yl)-N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]propanamide is Cc1ccc(Nc2ccc(NCCNC(=O)C(C)N3C(=O)c4ccccc4C3=O)nn2)nc1.
What is the InChIKey of 2-(1,3-dioxoisoindol-2-yl)-N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]propanamide?
The InChIKey is FXTUCDNTGRNBFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N7O3/c1-14-7-8-18(26-13-14)27-20-10-9-19(28-29-20)24-11-12-25-21(31)15(2)30-22(32)16-5-3-4-6-17(16)23(30)33/h3-10,13,15H,11-12H2,1-2H3,(H,24,28)(H,25,31)(H,26,27,29).
What are the key properties of 2-(1,3-dioxoisoindol-2-yl)-N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]propanamide?
2-(1,3-dioxoisoindol-2-yl)-N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]propanamide has a molecular weight of 445.48 g/mol, XLogP of 2.14, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxoisoindol-2-yl)-N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]propanamide is sourced from PubChem (CID 122326923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).