1-pyridin-2-yl-6-(6-pyrrol-1-ylhexyl)pyridin-2-one

C20H23N3O — CID 178081601

IUPAC1-pyridin-2-yl-6-(6-pyrrol-1-ylhexyl)pyridin-2-one
SMILESO=c1cccc(CCCCCCn2cccc2)n1-c1ccccn1
InChIInChI=1S/C20H23N3O/c24-20-13-9-11-18(23(20)19-12-4-5-14-21-19)10-3-1-2-6-15-22-16-7-8-17-22/h4-5,7-9,11-14,16-17H,1-3,6,10,15H2
InChIKeyHXKMYKXAVOYYCN-UHFFFAOYSA-N
MW321.42 g/mol
LogP3.84
Rot. Bonds8

About 1-pyridin-2-yl-6-(6-pyrrol-1-ylhexyl)pyridin-2-one

1-pyridin-2-yl-6-(6-pyrrol-1-ylhexyl)pyridin-2-one (PubChem CID 178081601) has the molecular formula C20H23N3O and a molecular weight of 321.42 g/mol. Its IUPAC name is 1-pyridin-2-yl-6-(6-pyrrol-1-ylhexyl)pyridin-2-one.

Molecular Properties

Compound Name1-pyridin-2-yl-6-(6-pyrrol-1-ylhexyl)pyridin-2-one
PubChem CID178081601
Molecular FormulaC20H23N3O
Molecular Weight321.42 g/mol
Exact Mass321.18
IUPAC Name1-pyridin-2-yl-6-(6-pyrrol-1-ylhexyl)pyridin-2-one
SMILESO=c1cccc(CCCCCCn2cccc2)n1-c1ccccn1
InChIInChI=1S/C20H23N3O/c24-20-13-9-11-18(23(20)19-12-4-5-14-21-19)10-3-1-2-6-15-22-16-7-8-17-22/h4-5,7-9,11-14,16-17H,1-3,6,10,15H2
InChIKeyHXKMYKXAVOYYCN-UHFFFAOYSA-N
XLogP3.84
TPSA39.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-cyclopentyl-1-pyridin-2-ylpyridin-2-one
CID 178081600
6-cyclohexyl-1-pyridin-2-ylpyridin-2-one
CID 178081614
1-(2-pyridin-2-ylethyl)pyridin-2-one
CID 116618481
6-[7-[2-(4,8-dimethyltridecyl)-2,5,7-trimethyl-3,4-dihydrochromen-6-yl]heptyl]-1-pyridin-2-ylpyridin-2-one
CID 178081616
4-pyridin-2-yl-1,2,4-dithiazolidine-3,5-dione
CID 163929369
1-(1-pyridin-2-ylpiperidin-4-yl)oxypyridin-2-one
CID 140566386
N-(4-amino-3,4-dioxo-1-pyrrol-1-ylbutan-2-yl)-2-methyl-3-pyridin-2-ylimidazole-4-carboxamide
CID 148718501
4,8-dibromo-2,6-dipyridin-2-ylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
CID 23823306
6-[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]-1-pyridin-2-ylpyridin-2-one;6-[(1S,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]-1-pyridin-2-ylpyridin-2-one
CID 139095103
2-(4-pyrimidin-2-ylbutyl)isoindole-1,3-dione
CID 70480156
2-pyridin-2-yl-1H-pyrazol-5-one
CID 11457847
1-(3-bromopropyl)-4-hydroxy-3-pyridin-2-ylimidazol-2-one
CID 91433414

Frequently Asked Questions

What is the IUPAC name of 1-pyridin-2-yl-6-(6-pyrrol-1-ylhexyl)pyridin-2-one?
The IUPAC name of 1-pyridin-2-yl-6-(6-pyrrol-1-ylhexyl)pyridin-2-one (CID 178081601) is 1-pyridin-2-yl-6-(6-pyrrol-1-ylhexyl)pyridin-2-one.
What is the SMILES notation for 1-pyridin-2-yl-6-(6-pyrrol-1-ylhexyl)pyridin-2-one?
The canonical SMILES for 1-pyridin-2-yl-6-(6-pyrrol-1-ylhexyl)pyridin-2-one is O=c1cccc(CCCCCCn2cccc2)n1-c1ccccn1.
What is the InChIKey of 1-pyridin-2-yl-6-(6-pyrrol-1-ylhexyl)pyridin-2-one?
The InChIKey is HXKMYKXAVOYYCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O/c24-20-13-9-11-18(23(20)19-12-4-5-14-21-19)10-3-1-2-6-15-22-16-7-8-17-22/h4-5,7-9,11-14,16-17H,1-3,6,10,15H2.
What are the key properties of 1-pyridin-2-yl-6-(6-pyrrol-1-ylhexyl)pyridin-2-one?
1-pyridin-2-yl-6-(6-pyrrol-1-ylhexyl)pyridin-2-one has a molecular weight of 321.42 g/mol, XLogP of 3.84, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridin-2-yl-6-(6-pyrrol-1-ylhexyl)pyridin-2-one is sourced from PubChem (CID 178081601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).