8-hexadecyl-2,4-dimethyl-6,7-dihydro-5H-1,8-naphthyridin-3-ol

C26H46N2O — CID 11567580

IUPAC8-hexadecyl-2,4-dimethyl-6,7-dihydro-5H-1,8-naphthyridin-3-ol
SMILESCCCCCCCCCCCCCCCCN1CCCc2c1nc(C)c(O)c2C
InChIInChI=1S/C26H46N2O/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-28-21-18-19-24-22(2)25(29)23(3)27-26(24)28/h29H,4-21H2,1-3H3
InChIKeyQLCNMFKGTYZRFM-UHFFFAOYSA-N
MW402.67 g/mol
LogP7.64
Rot. Bonds15

About 8-hexadecyl-2,4-dimethyl-6,7-dihydro-5H-1,8-naphthyridin-3-ol

8-hexadecyl-2,4-dimethyl-6,7-dihydro-5H-1,8-naphthyridin-3-ol (PubChem CID 11567580) has the molecular formula C26H46N2O and a molecular weight of 402.67 g/mol. Its IUPAC name is 8-hexadecyl-2,4-dimethyl-6,7-dihydro-5H-1,8-naphthyridin-3-ol.

Molecular Properties

Compound Name8-hexadecyl-2,4-dimethyl-6,7-dihydro-5H-1,8-naphthyridin-3-ol
PubChem CID11567580
Molecular FormulaC26H46N2O
Molecular Weight402.67 g/mol
Exact Mass402.36
IUPAC Name8-hexadecyl-2,4-dimethyl-6,7-dihydro-5H-1,8-naphthyridin-3-ol
SMILESCCCCCCCCCCCCCCCCN1CCCc2c1nc(C)c(O)c2C
InChIInChI=1S/C26H46N2O/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-28-21-18-19-24-22(2)25(29)23(3)27-26(24)28/h29H,4-21H2,1-3H3
InChIKeyQLCNMFKGTYZRFM-UHFFFAOYSA-N
XLogP7.64
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.67
LogP ≤ 57.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(2,5-Dimethylpyrrolidin-1-yl)-2-(10-hydroxydecyl)-4-methylpyridin-3-ol
CID 66553749
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-hydroxy-5,7-dimethyl-3,4-dihydro-1H-pyrido[2,3-d]pyrimidin-2-one
CID 72164894
1H-Pyrrolo[2,3-b]pyridin-5-ol, 2,3-dihydro-1,4,6-trimethyl-
CID 10877701
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 8-hexadecyl-2,4-dimethyl-6,7-dihydro-5H-1,8-naphthyridin-3-ol?
The IUPAC name of 8-hexadecyl-2,4-dimethyl-6,7-dihydro-5H-1,8-naphthyridin-3-ol (CID 11567580) is 8-hexadecyl-2,4-dimethyl-6,7-dihydro-5H-1,8-naphthyridin-3-ol.
What is the SMILES notation for 8-hexadecyl-2,4-dimethyl-6,7-dihydro-5H-1,8-naphthyridin-3-ol?
The canonical SMILES for 8-hexadecyl-2,4-dimethyl-6,7-dihydro-5H-1,8-naphthyridin-3-ol is CCCCCCCCCCCCCCCCN1CCCc2c1nc(C)c(O)c2C.
What is the InChIKey of 8-hexadecyl-2,4-dimethyl-6,7-dihydro-5H-1,8-naphthyridin-3-ol?
The InChIKey is QLCNMFKGTYZRFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H46N2O/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-28-21-18-19-24-22(2)25(29)23(3)27-26(24)28/h29H,4-21H2,1-3H3.
What are the key properties of 8-hexadecyl-2,4-dimethyl-6,7-dihydro-5H-1,8-naphthyridin-3-ol?
8-hexadecyl-2,4-dimethyl-6,7-dihydro-5H-1,8-naphthyridin-3-ol has a molecular weight of 402.67 g/mol, XLogP of 7.64, 15 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hexadecyl-2,4-dimethyl-6,7-dihydro-5H-1,8-naphthyridin-3-ol is sourced from PubChem (CID 11567580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).