5-amino-1-[3-(2-methylindol-1-yl)propyl]pyridin-2-one

C17H19N3O — CID 43259807

IUPAC5-amino-1-[3-(2-methylindol-1-yl)propyl]pyridin-2-one
SMILESCc1cc2ccccc2n1CCCn1cc(N)ccc1=O
InChIInChI=1S/C17H19N3O/c1-13-11-14-5-2-3-6-16(14)20(13)10-4-9-19-12-15(18)7-8-17(19)21/h2-3,5-8,11-12H,4,9-10,18H2,1H3
InChIKeyXZSMLRXVBGFXIR-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.78
Rot. Bonds4

About 5-amino-1-[3-(2-methylindol-1-yl)propyl]pyridin-2-one

5-amino-1-[3-(2-methylindol-1-yl)propyl]pyridin-2-one (PubChem CID 43259807) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is 5-amino-1-[3-(2-methylindol-1-yl)propyl]pyridin-2-one.

Molecular Properties

Compound Name5-amino-1-[3-(2-methylindol-1-yl)propyl]pyridin-2-one
PubChem CID43259807
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name5-amino-1-[3-(2-methylindol-1-yl)propyl]pyridin-2-one
SMILESCc1cc2ccccc2n1CCCn1cc(N)ccc1=O
InChIInChI=1S/C17H19N3O/c1-13-11-14-5-2-3-6-16(14)20(13)10-4-9-19-12-15(18)7-8-17(19)21/h2-3,5-8,11-12H,4,9-10,18H2,1H3
InChIKeyXZSMLRXVBGFXIR-UHFFFAOYSA-N
XLogP2.78
TPSA52.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 43519624
2-methyl-1-tetradecylindole
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1-(4-bromobutyl)-2-methylindole
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2-methyl-1-(4-pyrrolidin-1-ylbutyl)indole
CID 19829805
5-amino-1-(3-aminopropyl)pyridin-2-one
CID 82503026
5-amino-1-[2-(6-methylindol-1-yl)ethyl]pyridin-2-one
CID 43259823
5-amino-1-[3-(N,3,5-trimethylanilino)propyl]pyridin-2-one
CID 62001808
1-[2-(2-methylindol-1-yl)ethyl]pyrazol-4-amine
CID 62138265
5-amino-1-[3-(dimethylamino)propyl]pyridin-2-one
CID 43259607
5-amino-1-(5-hydroxypentyl)pyridin-2-one
CID 62228479
5-amino-1-[3-(4-hydroxypiperidin-1-yl)propyl]pyridin-2-one
CID 43259546

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-[3-(2-methylindol-1-yl)propyl]pyridin-2-one?
The IUPAC name of 5-amino-1-[3-(2-methylindol-1-yl)propyl]pyridin-2-one (CID 43259807) is 5-amino-1-[3-(2-methylindol-1-yl)propyl]pyridin-2-one.
What is the SMILES notation for 5-amino-1-[3-(2-methylindol-1-yl)propyl]pyridin-2-one?
The canonical SMILES for 5-amino-1-[3-(2-methylindol-1-yl)propyl]pyridin-2-one is Cc1cc2ccccc2n1CCCn1cc(N)ccc1=O.
What is the InChIKey of 5-amino-1-[3-(2-methylindol-1-yl)propyl]pyridin-2-one?
The InChIKey is XZSMLRXVBGFXIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-13-11-14-5-2-3-6-16(14)20(13)10-4-9-19-12-15(18)7-8-17(19)21/h2-3,5-8,11-12H,4,9-10,18H2,1H3.
What are the key properties of 5-amino-1-[3-(2-methylindol-1-yl)propyl]pyridin-2-one?
5-amino-1-[3-(2-methylindol-1-yl)propyl]pyridin-2-one has a molecular weight of 281.36 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-[3-(2-methylindol-1-yl)propyl]pyridin-2-one is sourced from PubChem (CID 43259807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).