1-[2-[4-(methylaminomethyl)indol-1-yl]ethyl]pyridin-2-one

C17H19N3O — CID 82899272

IUPAC1-[2-[4-(methylaminomethyl)indol-1-yl]ethyl]pyridin-2-one
SMILESCNCc1cccc2c1ccn2CCn1ccccc1=O
InChIInChI=1S/C17H19N3O/c1-18-13-14-5-4-6-16-15(14)8-10-19(16)11-12-20-9-3-2-7-17(20)21/h2-10,18H,11-13H2,1H3
InChIKeyDVRIQVZKSDYVRJ-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.22
Rot. Bonds5

About 1-[2-[4-(methylaminomethyl)indol-1-yl]ethyl]pyridin-2-one

1-[2-[4-(methylaminomethyl)indol-1-yl]ethyl]pyridin-2-one (PubChem CID 82899272) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is 1-[2-[4-(methylaminomethyl)indol-1-yl]ethyl]pyridin-2-one.

Molecular Properties

Compound Name1-[2-[4-(methylaminomethyl)indol-1-yl]ethyl]pyridin-2-one
PubChem CID82899272
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name1-[2-[4-(methylaminomethyl)indol-1-yl]ethyl]pyridin-2-one
SMILESCNCc1cccc2c1ccn2CCn1ccccc1=O
InChIInChI=1S/C17H19N3O/c1-18-13-14-5-4-6-16-15(14)8-10-19(16)11-12-20-9-3-2-7-17(20)21/h2-10,18H,11-13H2,1H3
InChIKeyDVRIQVZKSDYVRJ-UHFFFAOYSA-N
XLogP2.22
TPSA38.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(4-chloroindol-1-yl)ethyl]pyridin-2-one
CID 116623868
1-[2-[2-methoxy-6-(methylaminomethyl)phenoxy]ethyl]pyridin-2-one
CID 82898545
N-methyl-1-[1-(2-phenylsulfanylethyl)indol-4-yl]methanamine
CID 79229017
N-methyl-1-[1-[2-(oxolan-2-yl)ethyl]indol-4-yl]methanamine
CID 65162434
1-[2-[2-(methylaminomethyl)imidazol-1-yl]ethyl]pyridin-2-one
CID 82907641
4-ethyl-1-(2-phenylethyl)indole
CID 143158245
1-[2-[4-methyl-2-(methylaminomethyl)phenoxy]ethyl]pyridin-2-one
CID 82897921
N-[[2-(hydroxymethyl)phenyl]methyl]-3-(2-oxo-1-pyridinyl)propanamide
CID 110908908
N-methyl-1-[1-[(5-methyl-3-pyridinyl)methyl]indol-4-yl]methanamine
CID 102877971
1-[2-[2,6-dibromo-4-(methylaminomethyl)phenoxy]ethyl]pyridin-2-one
CID 107741788
4-[3-(methylaminomethyl)indol-1-yl]butan-2-ol
CID 113399056
1-[1-[(5-bromo-3-pyridinyl)methyl]indol-4-yl]-N-methylmethanamine
CID 104801167

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(methylaminomethyl)indol-1-yl]ethyl]pyridin-2-one?
The IUPAC name of 1-[2-[4-(methylaminomethyl)indol-1-yl]ethyl]pyridin-2-one (CID 82899272) is 1-[2-[4-(methylaminomethyl)indol-1-yl]ethyl]pyridin-2-one.
What is the SMILES notation for 1-[2-[4-(methylaminomethyl)indol-1-yl]ethyl]pyridin-2-one?
The canonical SMILES for 1-[2-[4-(methylaminomethyl)indol-1-yl]ethyl]pyridin-2-one is CNCc1cccc2c1ccn2CCn1ccccc1=O.
What is the InChIKey of 1-[2-[4-(methylaminomethyl)indol-1-yl]ethyl]pyridin-2-one?
The InChIKey is DVRIQVZKSDYVRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-18-13-14-5-4-6-16-15(14)8-10-19(16)11-12-20-9-3-2-7-17(20)21/h2-10,18H,11-13H2,1H3.
What are the key properties of 1-[2-[4-(methylaminomethyl)indol-1-yl]ethyl]pyridin-2-one?
1-[2-[4-(methylaminomethyl)indol-1-yl]ethyl]pyridin-2-one has a molecular weight of 281.36 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(methylaminomethyl)indol-1-yl]ethyl]pyridin-2-one is sourced from PubChem (CID 82899272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).