6-(2,5-dimethylpyrrolidin-1-yl)-2-(10-hydroxydecyl)-4-methylpyridin-3-ol

C22H38N2O2 — CID 66553749

IUPAC6-(2,5-dimethylpyrrolidin-1-yl)-2-(10-hydroxydecyl)-4-methylpyridin-3-ol
SMILESCc1cc(N2C(C)CCC2C)nc(CCCCCCCCCCO)c1O
InChIInChI=1S/C22H38N2O2/c1-17-16-21(24-18(2)13-14-19(24)3)23-20(22(17)26)12-10-8-6-4-5-7-9-11-15-25/h16,18-19,25-26H,4-15H2,1-3H3
InChIKeyAURFUKHLZFVZBD-UHFFFAOYSA-N
MW362.56 g/mol
LogP5.13
Rot. Bonds11

About 6-(2,5-dimethylpyrrolidin-1-yl)-2-(10-hydroxydecyl)-4-methylpyridin-3-ol

6-(2,5-dimethylpyrrolidin-1-yl)-2-(10-hydroxydecyl)-4-methylpyridin-3-ol (PubChem CID 66553749) has the molecular formula C22H38N2O2 and a molecular weight of 362.56 g/mol. Its IUPAC name is 6-(2,5-dimethylpyrrolidin-1-yl)-2-(10-hydroxydecyl)-4-methylpyridin-3-ol.

Molecular Properties

Compound Name6-(2,5-dimethylpyrrolidin-1-yl)-2-(10-hydroxydecyl)-4-methylpyridin-3-ol
PubChem CID66553749
Molecular FormulaC22H38N2O2
Molecular Weight362.56 g/mol
Exact Mass362.29
IUPAC Name6-(2,5-dimethylpyrrolidin-1-yl)-2-(10-hydroxydecyl)-4-methylpyridin-3-ol
SMILESCc1cc(N2C(C)CCC2C)nc(CCCCCCCCCCO)c1O
InChIInChI=1S/C22H38N2O2/c1-17-16-21(24-18(2)13-14-19(24)3)23-20(22(17)26)12-10-8-6-4-5-7-9-11-15-25/h16,18-19,25-26H,4-15H2,1-3H3
InChIKeyAURFUKHLZFVZBD-UHFFFAOYSA-N
XLogP5.13
TPSA56.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.56
LogP ≤ 55.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-(Dimethylamino)-2-(10-hydroxydecyl)-4-methylpyridin-3-ol
CID 53373257
6-(Dimethylamino)-2-(10-hydroxydecyl)-4,5-dimethylpyridin-3-ol
CID 66553750
4-[(3R,7R,11R)-3-hydroxy-3,7,11,15-tetramethylhexadecyl]-1,6-dimethyl-2,3-dihydropyrrolo[2,3-b]pyridin-5-ol
CID 52948316
6-Amino-2-(10-hydroxydecyl)-4-methylpyridin-3-ol
CID 66553675
1,4-Dimethyl-6-hexadecyl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-ol trifluoroacetic acid salt
CID 70683911
1,4-Dimethyl-6-decyl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-ol trifluoro acetic acid salt
CID 70692350
6-(Azetidin-1-yl)-2-hexadecyl-4,5-dimethylpyridin-3-ol
CID 101902802
6-(Azetidin-1-yl)-4-hexadecyl-2,5-dimethylpyridin-3-ol
CID 101902803
6-(Dimethylamino)-4-hexadecyl-2,5-dimethylpyridin-3-ol
CID 118711801
6-(Dimethylamino)-2-hexadecyl-4,5-dimethylpyridin-3-ol
CID 118711802
2-Decyl-6-(dimethylamino)-4,5-dimethylpyridin-3-ol
CID 118711803
4-Decyl-6-(dimethylamino)-2,5-dimethylpyridin-3-ol
CID 118711804

Frequently Asked Questions

What is the IUPAC name of 6-(2,5-dimethylpyrrolidin-1-yl)-2-(10-hydroxydecyl)-4-methylpyridin-3-ol?
The IUPAC name of 6-(2,5-dimethylpyrrolidin-1-yl)-2-(10-hydroxydecyl)-4-methylpyridin-3-ol (CID 66553749) is 6-(2,5-dimethylpyrrolidin-1-yl)-2-(10-hydroxydecyl)-4-methylpyridin-3-ol.
What is the SMILES notation for 6-(2,5-dimethylpyrrolidin-1-yl)-2-(10-hydroxydecyl)-4-methylpyridin-3-ol?
The canonical SMILES for 6-(2,5-dimethylpyrrolidin-1-yl)-2-(10-hydroxydecyl)-4-methylpyridin-3-ol is Cc1cc(N2C(C)CCC2C)nc(CCCCCCCCCCO)c1O.
What is the InChIKey of 6-(2,5-dimethylpyrrolidin-1-yl)-2-(10-hydroxydecyl)-4-methylpyridin-3-ol?
The InChIKey is AURFUKHLZFVZBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H38N2O2/c1-17-16-21(24-18(2)13-14-19(24)3)23-20(22(17)26)12-10-8-6-4-5-7-9-11-15-25/h16,18-19,25-26H,4-15H2,1-3H3.
What are the key properties of 6-(2,5-dimethylpyrrolidin-1-yl)-2-(10-hydroxydecyl)-4-methylpyridin-3-ol?
6-(2,5-dimethylpyrrolidin-1-yl)-2-(10-hydroxydecyl)-4-methylpyridin-3-ol has a molecular weight of 362.56 g/mol, XLogP of 5.13, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,5-dimethylpyrrolidin-1-yl)-2-(10-hydroxydecyl)-4-methylpyridin-3-ol is sourced from PubChem (CID 66553749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).