5-chloro-3-(methylamino)-6-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-1,3-dihydroindol-2-one

C15H18ClN3O — CID 114410361

IUPAC5-chloro-3-(methylamino)-6-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-1,3-dihydroindol-2-one
SMILESCNC1C(=O)Nc2cc(N3CC=C(C)CC3)c(Cl)cc21
InChIInChI=1S/C15H18ClN3O/c1-9-3-5-19(6-4-9)13-8-12-10(7-11(13)16)14(17-2)15(20)18-12/h3,7-8,14,17H,4-6H2,1-2H3,(H,18,20)
InChIKeyMBNXNISCHRGBNY-UHFFFAOYSA-N
MW291.78 g/mol
LogP2.71
Rot. Bonds2

About 5-chloro-3-(methylamino)-6-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-1,3-dihydroindol-2-one

5-chloro-3-(methylamino)-6-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-1,3-dihydroindol-2-one (PubChem CID 114410361) has the molecular formula C15H18ClN3O and a molecular weight of 291.78 g/mol. Its IUPAC name is 5-chloro-3-(methylamino)-6-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-chloro-3-(methylamino)-6-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-1,3-dihydroindol-2-one
PubChem CID114410361
Molecular FormulaC15H18ClN3O
Molecular Weight291.78 g/mol
Exact Mass291.11
IUPAC Name5-chloro-3-(methylamino)-6-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-1,3-dihydroindol-2-one
SMILESCNC1C(=O)Nc2cc(N3CC=C(C)CC3)c(Cl)cc21
InChIInChI=1S/C15H18ClN3O/c1-9-3-5-19(6-4-9)13-8-12-10(7-11(13)16)14(17-2)15(20)18-12/h3,7-8,14,17H,4-6H2,1-2H3,(H,18,20)
InChIKeyMBNXNISCHRGBNY-UHFFFAOYSA-N
XLogP2.71
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 5-chloro-3-(methylamino)-6-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-1,3-dihydroindol-2-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(methylamino)-6-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-1,3-dihydroindol-2-one?
The IUPAC name of 5-chloro-3-(methylamino)-6-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-1,3-dihydroindol-2-one (CID 114410361) is 5-chloro-3-(methylamino)-6-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-chloro-3-(methylamino)-6-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-1,3-dihydroindol-2-one?
The canonical SMILES for 5-chloro-3-(methylamino)-6-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-1,3-dihydroindol-2-one is CNC1C(=O)Nc2cc(N3CC=C(C)CC3)c(Cl)cc21.
What is the InChIKey of 5-chloro-3-(methylamino)-6-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-1,3-dihydroindol-2-one?
The InChIKey is MBNXNISCHRGBNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O/c1-9-3-5-19(6-4-9)13-8-12-10(7-11(13)16)14(17-2)15(20)18-12/h3,7-8,14,17H,4-6H2,1-2H3,(H,18,20).
What are the key properties of 5-chloro-3-(methylamino)-6-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-1,3-dihydroindol-2-one?
5-chloro-3-(methylamino)-6-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-1,3-dihydroindol-2-one has a molecular weight of 291.78 g/mol, XLogP of 2.71, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(methylamino)-6-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-1,3-dihydroindol-2-one is sourced from PubChem (CID 114410361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).