5-[[9-methyl-6-(methylamino)-5,6,7,8-tetrahydropyrido[2,3-b]indol-2-yl]amino]morpholin-3-one

C17H23N5O2 — CID 121382343

IUPAC5-[[9-methyl-6-(methylamino)-5,6,7,8-tetrahydropyrido[2,3-b]indol-2-yl]amino]morpholin-3-one
SMILESCNC1CCc2c(c3ccc(NC4COCC(=O)N4)nc3n2C)C1
InChIInChI=1S/C17H23N5O2/c1-18-10-3-5-13-12(7-10)11-4-6-14(21-17(11)22(13)2)19-15-8-24-9-16(23)20-15/h4,6,10,15,18H,3,5,7-9H2,1-2H3,(H,19,21)(H,20,23)
InChIKeyNSVAPRFUOVLTAH-UHFFFAOYSA-N
MW329.40 g/mol
LogP0.53
Rot. Bonds3

About 5-[[9-methyl-6-(methylamino)-5,6,7,8-tetrahydropyrido[2,3-b]indol-2-yl]amino]morpholin-3-one

5-[[9-methyl-6-(methylamino)-5,6,7,8-tetrahydropyrido[2,3-b]indol-2-yl]amino]morpholin-3-one (PubChem CID 121382343) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is 5-[[9-methyl-6-(methylamino)-5,6,7,8-tetrahydropyrido[2,3-b]indol-2-yl]amino]morpholin-3-one.

Molecular Properties

Compound Name5-[[9-methyl-6-(methylamino)-5,6,7,8-tetrahydropyrido[2,3-b]indol-2-yl]amino]morpholin-3-one
PubChem CID121382343
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC Name5-[[9-methyl-6-(methylamino)-5,6,7,8-tetrahydropyrido[2,3-b]indol-2-yl]amino]morpholin-3-one
SMILESCNC1CCc2c(c3ccc(NC4COCC(=O)N4)nc3n2C)C1
InChIInChI=1S/C17H23N5O2/c1-18-10-3-5-13-12(7-10)11-4-6-14(21-17(11)22(13)2)19-15-8-24-9-16(23)20-15/h4,6,10,15,18H,3,5,7-9H2,1-2H3,(H,19,21)(H,20,23)
InChIKeyNSVAPRFUOVLTAH-UHFFFAOYSA-N
XLogP0.53
TPSA80.21 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 50.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[[9-methyl-6-(methylamino)-5,6,7,8-tetrahydropyrido[2,3-b]indol-2-yl]amino]morpholin-3-one?
The IUPAC name of 5-[[9-methyl-6-(methylamino)-5,6,7,8-tetrahydropyrido[2,3-b]indol-2-yl]amino]morpholin-3-one (CID 121382343) is 5-[[9-methyl-6-(methylamino)-5,6,7,8-tetrahydropyrido[2,3-b]indol-2-yl]amino]morpholin-3-one.
What is the SMILES notation for 5-[[9-methyl-6-(methylamino)-5,6,7,8-tetrahydropyrido[2,3-b]indol-2-yl]amino]morpholin-3-one?
The canonical SMILES for 5-[[9-methyl-6-(methylamino)-5,6,7,8-tetrahydropyrido[2,3-b]indol-2-yl]amino]morpholin-3-one is CNC1CCc2c(c3ccc(NC4COCC(=O)N4)nc3n2C)C1.
What is the InChIKey of 5-[[9-methyl-6-(methylamino)-5,6,7,8-tetrahydropyrido[2,3-b]indol-2-yl]amino]morpholin-3-one?
The InChIKey is NSVAPRFUOVLTAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-18-10-3-5-13-12(7-10)11-4-6-14(21-17(11)22(13)2)19-15-8-24-9-16(23)20-15/h4,6,10,15,18H,3,5,7-9H2,1-2H3,(H,19,21)(H,20,23).
What are the key properties of 5-[[9-methyl-6-(methylamino)-5,6,7,8-tetrahydropyrido[2,3-b]indol-2-yl]amino]morpholin-3-one?
5-[[9-methyl-6-(methylamino)-5,6,7,8-tetrahydropyrido[2,3-b]indol-2-yl]amino]morpholin-3-one has a molecular weight of 329.40 g/mol, XLogP of 0.53, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[9-methyl-6-(methylamino)-5,6,7,8-tetrahydropyrido[2,3-b]indol-2-yl]amino]morpholin-3-one is sourced from PubChem (CID 121382343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).