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

C15H14ClN3O — CID 43487569

IUPAC6-chloro-5-[methylamino(pyridin-4-yl)methyl]-1,3-dihydroindol-2-one
SMILESCNC(c1ccncc1)c1cc2c(cc1Cl)NC(=O)C2
InChIInChI=1S/C15H14ClN3O/c1-17-15(9-2-4-18-5-3-9)11-6-10-7-14(20)19-13(10)8-12(11)16/h2-6,8,15,17H,7H2,1H3,(H,19,20)
InChIKeyQKUYJMZZUKOIDM-UHFFFAOYSA-N
MW287.75 g/mol
LogP2.54
Rot. Bonds3

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

6-chloro-5-[methylamino(pyridin-4-yl)methyl]-1,3-dihydroindol-2-one (PubChem CID 43487569) has the molecular formula C15H14ClN3O and a molecular weight of 287.75 g/mol. Its IUPAC name is 6-chloro-5-[methylamino(pyridin-4-yl)methyl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name6-chloro-5-[methylamino(pyridin-4-yl)methyl]-1,3-dihydroindol-2-one
PubChem CID43487569
Molecular FormulaC15H14ClN3O
Molecular Weight287.75 g/mol
Exact Mass287.08
IUPAC Name6-chloro-5-[methylamino(pyridin-4-yl)methyl]-1,3-dihydroindol-2-one
SMILESCNC(c1ccncc1)c1cc2c(cc1Cl)NC(=O)C2
InChIInChI=1S/C15H14ClN3O/c1-17-15(9-2-4-18-5-3-9)11-6-10-7-14(20)19-13(10)8-12(11)16/h2-6,8,15,17H,7H2,1H3,(H,19,20)
InChIKeyQKUYJMZZUKOIDM-UHFFFAOYSA-N
XLogP2.54
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.75
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-5-[(3-chlorothiophen-2-yl)-(methylamino)methyl]-1,3-dihydroindol-2-one
CID 80645043
6-chloro-5-[methylamino-(5-methylfuran-2-yl)methyl]-1,3-dihydroindol-2-one
CID 43487538
6-chloro-5-[methylamino-(2-methylfuran-3-yl)methyl]-1,3-dihydroindol-2-one
CID 43487548
5-[(1S)-1-aminoethyl]-6-chloro-1,3-dihydroindol-2-one
CID 82758304
5-[amino-(3,4-dichlorophenyl)methyl]-6-chloro-1,3-dihydroindol-2-one
CID 43457576
6-chloro-5-[1-(methylamino)hexyl]-1,3-dihydroindol-2-one
CID 43487561
6-chloro-5-(1-hydroxy-2-methylpropyl)-1,3-dihydroindol-2-one
CID 61081464
5-[amino-(4-chlorophenyl)methyl]-6-chloro-1,3-dihydroindol-2-one
CID 43457597
5-[amino-(3-chloro-4-methylphenyl)methyl]-6-chloro-1,3-dihydroindol-2-one
CID 63194843
6-chloro-5-(1-chloro-3-methylbutyl)-1,3-dihydroindol-2-one
CID 61083849
6-chloro-5-[(4-fluoro-3-methylphenyl)-hydroxymethyl]-1,3-dihydroindol-2-one
CID 63210472
5-[amino-(4-methylsulfanylphenyl)methyl]-6-chloro-1,3-dihydroindol-2-one
CID 79212497

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-[methylamino(pyridin-4-yl)methyl]-1,3-dihydroindol-2-one?
The IUPAC name of 6-chloro-5-[methylamino(pyridin-4-yl)methyl]-1,3-dihydroindol-2-one (CID 43487569) is 6-chloro-5-[methylamino(pyridin-4-yl)methyl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 6-chloro-5-[methylamino(pyridin-4-yl)methyl]-1,3-dihydroindol-2-one?
The canonical SMILES for 6-chloro-5-[methylamino(pyridin-4-yl)methyl]-1,3-dihydroindol-2-one is CNC(c1ccncc1)c1cc2c(cc1Cl)NC(=O)C2.
What is the InChIKey of 6-chloro-5-[methylamino(pyridin-4-yl)methyl]-1,3-dihydroindol-2-one?
The InChIKey is QKUYJMZZUKOIDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3O/c1-17-15(9-2-4-18-5-3-9)11-6-10-7-14(20)19-13(10)8-12(11)16/h2-6,8,15,17H,7H2,1H3,(H,19,20).
What are the key properties of 6-chloro-5-[methylamino(pyridin-4-yl)methyl]-1,3-dihydroindol-2-one?
6-chloro-5-[methylamino(pyridin-4-yl)methyl]-1,3-dihydroindol-2-one has a molecular weight of 287.75 g/mol, XLogP of 2.54, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-[methylamino(pyridin-4-yl)methyl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 43487569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).