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

C22H31N3O — CID 15983457

IUPACN,N-diethyl-3-[(6-methyl-8-phenyl-7,8-dihydro-5H-2,6-naphthyridin-3-yl)oxy]propan-1-amine
SMILESCCN(CC)CCCOc1cc2c(cn1)C(c1ccccc1)CN(C)C2
InChIInChI=1S/C22H31N3O/c1-4-25(5-2)12-9-13-26-22-14-19-16-24(3)17-21(20(19)15-23-22)18-10-7-6-8-11-18/h6-8,10-11,14-15,21H,4-5,9,12-13,16-17H2,1-3H3
InChIKeyMVPLENCWDAZKFW-UHFFFAOYSA-N
MW353.51 g/mol
LogP3.77
Rot. Bonds8

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

N,N-diethyl-3-[(6-methyl-8-phenyl-7,8-dihydro-5H-2,6-naphthyridin-3-yl)oxy]propan-1-amine (PubChem CID 15983457) has the molecular formula C22H31N3O and a molecular weight of 353.51 g/mol. Its IUPAC name is N,N-diethyl-3-[(6-methyl-8-phenyl-7,8-dihydro-5H-2,6-naphthyridin-3-yl)oxy]propan-1-amine.

Molecular Properties

Compound NameN,N-diethyl-3-[(6-methyl-8-phenyl-7,8-dihydro-5H-2,6-naphthyridin-3-yl)oxy]propan-1-amine
PubChem CID15983457
Molecular FormulaC22H31N3O
Molecular Weight353.51 g/mol
Exact Mass353.25
IUPAC NameN,N-diethyl-3-[(6-methyl-8-phenyl-7,8-dihydro-5H-2,6-naphthyridin-3-yl)oxy]propan-1-amine
SMILESCCN(CC)CCCOc1cc2c(cn1)C(c1ccccc1)CN(C)C2
InChIInChI=1S/C22H31N3O/c1-4-25(5-2)12-9-13-26-22-14-19-16-24(3)17-21(20(19)15-23-22)18-10-7-6-8-11-18/h6-8,10-11,14-15,21H,4-5,9,12-13,16-17H2,1-3H3
InChIKeyMVPLENCWDAZKFW-UHFFFAOYSA-N
XLogP3.77
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.51
LogP ≤ 53.77
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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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-[(6-methyl-8-phenyl-7,8-dihydro-5H-2,6-naphthyridin-3-yl)oxy]propan-1-amine?
The IUPAC name of N,N-diethyl-3-[(6-methyl-8-phenyl-7,8-dihydro-5H-2,6-naphthyridin-3-yl)oxy]propan-1-amine (CID 15983457) is N,N-diethyl-3-[(6-methyl-8-phenyl-7,8-dihydro-5H-2,6-naphthyridin-3-yl)oxy]propan-1-amine.
What is the SMILES notation for N,N-diethyl-3-[(6-methyl-8-phenyl-7,8-dihydro-5H-2,6-naphthyridin-3-yl)oxy]propan-1-amine?
The canonical SMILES for N,N-diethyl-3-[(6-methyl-8-phenyl-7,8-dihydro-5H-2,6-naphthyridin-3-yl)oxy]propan-1-amine is CCN(CC)CCCOc1cc2c(cn1)C(c1ccccc1)CN(C)C2.
What is the InChIKey of N,N-diethyl-3-[(6-methyl-8-phenyl-7,8-dihydro-5H-2,6-naphthyridin-3-yl)oxy]propan-1-amine?
The InChIKey is MVPLENCWDAZKFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O/c1-4-25(5-2)12-9-13-26-22-14-19-16-24(3)17-21(20(19)15-23-22)18-10-7-6-8-11-18/h6-8,10-11,14-15,21H,4-5,9,12-13,16-17H2,1-3H3.
What are the key properties of N,N-diethyl-3-[(6-methyl-8-phenyl-7,8-dihydro-5H-2,6-naphthyridin-3-yl)oxy]propan-1-amine?
N,N-diethyl-3-[(6-methyl-8-phenyl-7,8-dihydro-5H-2,6-naphthyridin-3-yl)oxy]propan-1-amine has a molecular weight of 353.51 g/mol, XLogP of 3.77, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-[(6-methyl-8-phenyl-7,8-dihydro-5H-2,6-naphthyridin-3-yl)oxy]propan-1-amine is sourced from PubChem (CID 15983457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).