N,N-diethyl-3-[[8-(4-methoxyphenyl)-6-methyl-7,8-dihydro-5H-2,6-naphthyridin-3-yl]oxy]propan-1-amine

C23H33N3O2 — CID 15983840

IUPACN,N-diethyl-3-[[8-(4-methoxyphenyl)-6-methyl-7,8-dihydro-5H-2,6-naphthyridin-3-yl]oxy]propan-1-amine
SMILESCCN(CC)CCCOc1cc2c(cn1)C(c1ccc(OC)cc1)CN(C)C2
InChIInChI=1S/C23H33N3O2/c1-5-26(6-2)12-7-13-28-23-14-19-16-25(3)17-22(21(19)15-24-23)18-8-10-20(27-4)11-9-18/h8-11,14-15,22H,5-7,12-13,16-17H2,1-4H3
InChIKeyALZTYVXVRZIERJ-UHFFFAOYSA-N
MW383.54 g/mol
LogP3.78
Rot. Bonds9

About N,N-diethyl-3-[[8-(4-methoxyphenyl)-6-methyl-7,8-dihydro-5H-2,6-naphthyridin-3-yl]oxy]propan-1-amine

N,N-diethyl-3-[[8-(4-methoxyphenyl)-6-methyl-7,8-dihydro-5H-2,6-naphthyridin-3-yl]oxy]propan-1-amine (PubChem CID 15983840) has the molecular formula C23H33N3O2 and a molecular weight of 383.54 g/mol. Its IUPAC name is N,N-diethyl-3-[[8-(4-methoxyphenyl)-6-methyl-7,8-dihydro-5H-2,6-naphthyridin-3-yl]oxy]propan-1-amine.

Molecular Properties

Compound NameN,N-diethyl-3-[[8-(4-methoxyphenyl)-6-methyl-7,8-dihydro-5H-2,6-naphthyridin-3-yl]oxy]propan-1-amine
PubChem CID15983840
Molecular FormulaC23H33N3O2
Molecular Weight383.54 g/mol
Exact Mass383.26
IUPAC NameN,N-diethyl-3-[[8-(4-methoxyphenyl)-6-methyl-7,8-dihydro-5H-2,6-naphthyridin-3-yl]oxy]propan-1-amine
SMILESCCN(CC)CCCOc1cc2c(cn1)C(c1ccc(OC)cc1)CN(C)C2
InChIInChI=1S/C23H33N3O2/c1-5-26(6-2)12-7-13-28-23-14-19-16-25(3)17-22(21(19)15-24-23)18-8-10-20(27-4)11-9-18/h8-11,14-15,22H,5-7,12-13,16-17H2,1-4H3
InChIKeyALZTYVXVRZIERJ-UHFFFAOYSA-N
XLogP3.78
TPSA37.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.54
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-[[8-(4-methoxyphenyl)-6-methyl-7,8-dihydro-5H-2,6-naphthyridin-3-yl]oxy]propan-1-amine?
The IUPAC name of N,N-diethyl-3-[[8-(4-methoxyphenyl)-6-methyl-7,8-dihydro-5H-2,6-naphthyridin-3-yl]oxy]propan-1-amine (CID 15983840) is N,N-diethyl-3-[[8-(4-methoxyphenyl)-6-methyl-7,8-dihydro-5H-2,6-naphthyridin-3-yl]oxy]propan-1-amine.
What is the SMILES notation for N,N-diethyl-3-[[8-(4-methoxyphenyl)-6-methyl-7,8-dihydro-5H-2,6-naphthyridin-3-yl]oxy]propan-1-amine?
The canonical SMILES for N,N-diethyl-3-[[8-(4-methoxyphenyl)-6-methyl-7,8-dihydro-5H-2,6-naphthyridin-3-yl]oxy]propan-1-amine is CCN(CC)CCCOc1cc2c(cn1)C(c1ccc(OC)cc1)CN(C)C2.
What is the InChIKey of N,N-diethyl-3-[[8-(4-methoxyphenyl)-6-methyl-7,8-dihydro-5H-2,6-naphthyridin-3-yl]oxy]propan-1-amine?
The InChIKey is ALZTYVXVRZIERJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N3O2/c1-5-26(6-2)12-7-13-28-23-14-19-16-25(3)17-22(21(19)15-24-23)18-8-10-20(27-4)11-9-18/h8-11,14-15,22H,5-7,12-13,16-17H2,1-4H3.
What are the key properties of N,N-diethyl-3-[[8-(4-methoxyphenyl)-6-methyl-7,8-dihydro-5H-2,6-naphthyridin-3-yl]oxy]propan-1-amine?
N,N-diethyl-3-[[8-(4-methoxyphenyl)-6-methyl-7,8-dihydro-5H-2,6-naphthyridin-3-yl]oxy]propan-1-amine has a molecular weight of 383.54 g/mol, XLogP of 3.78, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-[[8-(4-methoxyphenyl)-6-methyl-7,8-dihydro-5H-2,6-naphthyridin-3-yl]oxy]propan-1-amine is sourced from PubChem (CID 15983840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).