5-amino-1-[2-(6-methylindol-1-yl)ethyl]pyridin-2-one

C16H17N3O — CID 43259823

IUPAC5-amino-1-[2-(6-methylindol-1-yl)ethyl]pyridin-2-one
SMILESCc1ccc2ccn(CCn3cc(N)ccc3=O)c2c1
InChIInChI=1S/C16H17N3O/c1-12-2-3-13-6-7-18(15(13)10-12)8-9-19-11-14(17)4-5-16(19)20/h2-7,10-11H,8-9,17H2,1H3
InChIKeyOMTFRJSWBPVWKB-UHFFFAOYSA-N
MW267.33 g/mol
LogP2.39
Rot. Bonds3

About 5-amino-1-[2-(6-methylindol-1-yl)ethyl]pyridin-2-one

5-amino-1-[2-(6-methylindol-1-yl)ethyl]pyridin-2-one (PubChem CID 43259823) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is 5-amino-1-[2-(6-methylindol-1-yl)ethyl]pyridin-2-one.

Molecular Properties

Compound Name5-amino-1-[2-(6-methylindol-1-yl)ethyl]pyridin-2-one
PubChem CID43259823
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC Name5-amino-1-[2-(6-methylindol-1-yl)ethyl]pyridin-2-one
SMILESCc1ccc2ccn(CCn3cc(N)ccc3=O)c2c1
InChIInChI=1S/C16H17N3O/c1-12-2-3-13-6-7-18(15(13)10-12)8-9-19-11-14(17)4-5-16(19)20/h2-7,10-11H,8-9,17H2,1H3
InChIKeyOMTFRJSWBPVWKB-UHFFFAOYSA-N
XLogP2.39
TPSA52.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-bromoethyl)-6-methylindole
CID 130577129
N-(4-aminophenyl)-2-(6-methylindol-1-yl)acetamide
CID 43163433
5-(6-methylindol-1-yl)pentanehydrazide
CID 63577406
1-decyl-6-methylindole
CID 116546893
5-amino-1-[3-(2-methylindol-1-yl)propyl]pyridin-2-one
CID 43259807
5-amino-1-[3-(2,4-dimethylphenyl)sulfanylpropyl]pyridin-2-one
CID 43260296
5-amino-1-[3-(N,3,5-trimethylanilino)propyl]pyridin-2-one
CID 62001808
5-amino-1-[3-(2-chloro-5-methylphenoxy)propyl]pyridin-2-one
CID 43260232
3-(6-methylindol-1-yl)-N-propylpropan-1-amine
CID 62562354
6-methyl-1-(4,4,4-trifluorobutyl)indole
CID 116546672
N-[2-(6-methylindol-1-yl)ethyl]butan-2-amine
CID 62562519
2,2-dimethyl-5-(6-methylindol-1-yl)pentan-1-amine
CID 65253963

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-[2-(6-methylindol-1-yl)ethyl]pyridin-2-one?
The IUPAC name of 5-amino-1-[2-(6-methylindol-1-yl)ethyl]pyridin-2-one (CID 43259823) is 5-amino-1-[2-(6-methylindol-1-yl)ethyl]pyridin-2-one.
What is the SMILES notation for 5-amino-1-[2-(6-methylindol-1-yl)ethyl]pyridin-2-one?
The canonical SMILES for 5-amino-1-[2-(6-methylindol-1-yl)ethyl]pyridin-2-one is Cc1ccc2ccn(CCn3cc(N)ccc3=O)c2c1.
What is the InChIKey of 5-amino-1-[2-(6-methylindol-1-yl)ethyl]pyridin-2-one?
The InChIKey is OMTFRJSWBPVWKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c1-12-2-3-13-6-7-18(15(13)10-12)8-9-19-11-14(17)4-5-16(19)20/h2-7,10-11H,8-9,17H2,1H3.
What are the key properties of 5-amino-1-[2-(6-methylindol-1-yl)ethyl]pyridin-2-one?
5-amino-1-[2-(6-methylindol-1-yl)ethyl]pyridin-2-one has a molecular weight of 267.33 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-[2-(6-methylindol-1-yl)ethyl]pyridin-2-one is sourced from PubChem (CID 43259823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).