2-butyl-5-[[(2-methylmorpholin-4-yl)-pyridin-3-ylmethyl]amino]-3H-isoindol-1-one

C23H30N4O2 — CID 123218269

IUPAC2-butyl-5-[[(2-methylmorpholin-4-yl)-pyridin-3-ylmethyl]amino]-3H-isoindol-1-one
SMILESCCCCN1Cc2cc(NC(c3cccnc3)N3CCOC(C)C3)ccc2C1=O
InChIInChI=1S/C23H30N4O2/c1-3-4-10-27-16-19-13-20(7-8-21(19)23(27)28)25-22(18-6-5-9-24-14-18)26-11-12-29-17(2)15-26/h5-9,13-14,17,22,25H,3-4,10-12,15-16H2,1-2H3
InChIKeyQZWRXPDOQORGFP-UHFFFAOYSA-N
MW394.52 g/mol
LogP3.67
Rot. Bonds7

About 2-butyl-5-[[(2-methylmorpholin-4-yl)-pyridin-3-ylmethyl]amino]-3H-isoindol-1-one

2-butyl-5-[[(2-methylmorpholin-4-yl)-pyridin-3-ylmethyl]amino]-3H-isoindol-1-one (PubChem CID 123218269) has the molecular formula C23H30N4O2 and a molecular weight of 394.52 g/mol. Its IUPAC name is 2-butyl-5-[[(2-methylmorpholin-4-yl)-pyridin-3-ylmethyl]amino]-3H-isoindol-1-one.

Molecular Properties

Compound Name2-butyl-5-[[(2-methylmorpholin-4-yl)-pyridin-3-ylmethyl]amino]-3H-isoindol-1-one
PubChem CID123218269
Molecular FormulaC23H30N4O2
Molecular Weight394.52 g/mol
Exact Mass394.24
IUPAC Name2-butyl-5-[[(2-methylmorpholin-4-yl)-pyridin-3-ylmethyl]amino]-3H-isoindol-1-one
SMILESCCCCN1Cc2cc(NC(c3cccnc3)N3CCOC(C)C3)ccc2C1=O
InChIInChI=1S/C23H30N4O2/c1-3-4-10-27-16-19-13-20(7-8-21(19)23(27)28)25-22(18-6-5-9-24-14-18)26-11-12-29-17(2)15-26/h5-9,13-14,17,22,25H,3-4,10-12,15-16H2,1-2H3
InChIKeyQZWRXPDOQORGFP-UHFFFAOYSA-N
XLogP3.67
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-butyl-5-[[(2-methylmorpholin-4-yl)-pyridin-3-ylmethyl]amino]-3H-isoindol-1-one with MolForge

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Related Compounds

2-butyl-7-methyl-5-[[morpholin-4-yl(pyridin-3-yl)methyl]amino]-3H-isoindol-1-one
CID 123254459
2-butyl-5-[(5-morpholin-4-yl-3-pyridinyl)amino]-3H-isoindol-1-one
CID 53385596
7-methyl-5-[[morpholin-4-yl(pyridin-3-yl)methyl]amino]-2-(2,2,2-trifluoroethyl)-3H-isoindol-1-one
CID 123880101
2-butyl-5-[(5-phenyl-3-pyridinyl)amino]-3H-isoindol-1-one
CID 53477130
5-[[(2-fluorophenyl)-(1H-pyrazol-4-yl)methyl]amino]-2-propyl-3H-isoindol-1-one
CID 90929316
2-butyl-5-[(2,6-dimethyl-4-phenyl-3-pyridinyl)methylamino]-3H-isoindol-1-one
CID 67434332
2-nonyl-3H-isoindol-1-one
CID 132543397
N-[4-(2-methylmorpholine-4-carbonyl)phenyl]-4-pyridin-3-ylbutanamide
CID 110614432
1-(2-methylmorpholin-4-yl)-4-pyridin-3-ylbutane-1,4-dione
CID 110631390
2-butyl-5-[(2-chloro-4-phenyl-3-pyridinyl)methoxy]-3H-isoindol-1-one
CID 53472170
1-[(1S)-1-pyridin-3-ylpentyl]piperazine
CID 171308841
(4-methylmorpholin-2-yl)-pyridin-3-ylmethanol
CID 79087770

Frequently Asked Questions

What is the IUPAC name of 2-butyl-5-[[(2-methylmorpholin-4-yl)-pyridin-3-ylmethyl]amino]-3H-isoindol-1-one?
The IUPAC name of 2-butyl-5-[[(2-methylmorpholin-4-yl)-pyridin-3-ylmethyl]amino]-3H-isoindol-1-one (CID 123218269) is 2-butyl-5-[[(2-methylmorpholin-4-yl)-pyridin-3-ylmethyl]amino]-3H-isoindol-1-one.
What is the SMILES notation for 2-butyl-5-[[(2-methylmorpholin-4-yl)-pyridin-3-ylmethyl]amino]-3H-isoindol-1-one?
The canonical SMILES for 2-butyl-5-[[(2-methylmorpholin-4-yl)-pyridin-3-ylmethyl]amino]-3H-isoindol-1-one is CCCCN1Cc2cc(NC(c3cccnc3)N3CCOC(C)C3)ccc2C1=O.
What is the InChIKey of 2-butyl-5-[[(2-methylmorpholin-4-yl)-pyridin-3-ylmethyl]amino]-3H-isoindol-1-one?
The InChIKey is QZWRXPDOQORGFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O2/c1-3-4-10-27-16-19-13-20(7-8-21(19)23(27)28)25-22(18-6-5-9-24-14-18)26-11-12-29-17(2)15-26/h5-9,13-14,17,22,25H,3-4,10-12,15-16H2,1-2H3.
What are the key properties of 2-butyl-5-[[(2-methylmorpholin-4-yl)-pyridin-3-ylmethyl]amino]-3H-isoindol-1-one?
2-butyl-5-[[(2-methylmorpholin-4-yl)-pyridin-3-ylmethyl]amino]-3H-isoindol-1-one has a molecular weight of 394.52 g/mol, XLogP of 3.67, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-5-[[(2-methylmorpholin-4-yl)-pyridin-3-ylmethyl]amino]-3H-isoindol-1-one is sourced from PubChem (CID 123218269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).