2-butyl-5-[(5-morpholin-4-yl-3-pyridinyl)amino]-3H-isoindol-1-one

C21H26N4O2 — CID 53385596

IUPAC2-butyl-5-[(5-morpholin-4-yl-3-pyridinyl)amino]-3H-isoindol-1-one
SMILESCCCCN1Cc2cc(Nc3cncc(N4CCOCC4)c3)ccc2C1=O
InChIInChI=1S/C21H26N4O2/c1-2-3-6-25-15-16-11-17(4-5-20(16)21(25)26)23-18-12-19(14-22-13-18)24-7-9-27-10-8-24/h4-5,11-14,23H,2-3,6-10,15H2,1H3
InChIKeyVTKDRJKNLQAITQ-UHFFFAOYSA-N
MW366.47 g/mol
LogP3.42
Rot. Bonds6

About 2-butyl-5-[(5-morpholin-4-yl-3-pyridinyl)amino]-3H-isoindol-1-one

2-butyl-5-[(5-morpholin-4-yl-3-pyridinyl)amino]-3H-isoindol-1-one (PubChem CID 53385596) has the molecular formula C21H26N4O2 and a molecular weight of 366.47 g/mol. Its IUPAC name is 2-butyl-5-[(5-morpholin-4-yl-3-pyridinyl)amino]-3H-isoindol-1-one.

Molecular Properties

Compound Name2-butyl-5-[(5-morpholin-4-yl-3-pyridinyl)amino]-3H-isoindol-1-one
PubChem CID53385596
Molecular FormulaC21H26N4O2
Molecular Weight366.47 g/mol
Exact Mass366.21
IUPAC Name2-butyl-5-[(5-morpholin-4-yl-3-pyridinyl)amino]-3H-isoindol-1-one
SMILESCCCCN1Cc2cc(Nc3cncc(N4CCOCC4)c3)ccc2C1=O
InChIInChI=1S/C21H26N4O2/c1-2-3-6-25-15-16-11-17(4-5-20(16)21(25)26)23-18-12-19(14-22-13-18)24-7-9-27-10-8-24/h4-5,11-14,23H,2-3,6-10,15H2,1H3
InChIKeyVTKDRJKNLQAITQ-UHFFFAOYSA-N
XLogP3.42
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-butyl-5-[(5-morpholin-4-yl-3-pyridinyl)amino]-3H-isoindol-1-one 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

2-butyl-5-[(5-phenyl-3-pyridinyl)amino]-3H-isoindol-1-one
CID 53477130
2-butyl-5-[[(2-methylmorpholin-4-yl)-pyridin-3-ylmethyl]amino]-3H-isoindol-1-one
CID 123218269
2-butyl-7-methyl-5-[[morpholin-4-yl(pyridin-3-yl)methyl]amino]-3H-isoindol-1-one
CID 123254459
2-butyl-5-[(2,6-dimethyl-4-phenyl-3-pyridinyl)methylamino]-3H-isoindol-1-one
CID 67434332
2-benzyl-5-[4-[4-(trifluoromethyl)piperidin-1-yl]anilino]-3H-isoindol-1-one
CID 167300255
4-(5-ethyl-3-pyridinyl)morpholine
CID 130219562
morpholin-4-yl-[5-(4-piperidin-1-ylanilino)-3-pyridinyl]methanone
CID 109228509
3-N-ethyl-5-N-(4-pyrrolidin-1-ylphenyl)pyridine-3,5-diamine
CID 104534517
N-butyl-4-morpholin-4-ylaniline
CID 28675754
5-methyl-2-(4-morpholin-4-ylanilino)-8-propyl-7H-pteridin-6-one
CID 129212841
5-[4-(4-methylpiperazin-1-yl)anilino]-N-propylpyridine-3-carboxamide
CID 109222918
N-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]pentanamide
CID 122354899

Frequently Asked Questions

What is the IUPAC name of 2-butyl-5-[(5-morpholin-4-yl-3-pyridinyl)amino]-3H-isoindol-1-one?
The IUPAC name of 2-butyl-5-[(5-morpholin-4-yl-3-pyridinyl)amino]-3H-isoindol-1-one (CID 53385596) is 2-butyl-5-[(5-morpholin-4-yl-3-pyridinyl)amino]-3H-isoindol-1-one.
What is the SMILES notation for 2-butyl-5-[(5-morpholin-4-yl-3-pyridinyl)amino]-3H-isoindol-1-one?
The canonical SMILES for 2-butyl-5-[(5-morpholin-4-yl-3-pyridinyl)amino]-3H-isoindol-1-one is CCCCN1Cc2cc(Nc3cncc(N4CCOCC4)c3)ccc2C1=O.
What is the InChIKey of 2-butyl-5-[(5-morpholin-4-yl-3-pyridinyl)amino]-3H-isoindol-1-one?
The InChIKey is VTKDRJKNLQAITQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2/c1-2-3-6-25-15-16-11-17(4-5-20(16)21(25)26)23-18-12-19(14-22-13-18)24-7-9-27-10-8-24/h4-5,11-14,23H,2-3,6-10,15H2,1H3.
What are the key properties of 2-butyl-5-[(5-morpholin-4-yl-3-pyridinyl)amino]-3H-isoindol-1-one?
2-butyl-5-[(5-morpholin-4-yl-3-pyridinyl)amino]-3H-isoindol-1-one has a molecular weight of 366.47 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-5-[(5-morpholin-4-yl-3-pyridinyl)amino]-3H-isoindol-1-one is sourced from PubChem (CID 53385596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).