N'-[7-(4-methoxyphenyl)-1,6-naphthyridin-5-yl]propane-1,3-diamine

C18H20N4O — CID 10149633

IUPACN'-[7-(4-methoxyphenyl)-1,6-naphthyridin-5-yl]propane-1,3-diamine
SMILESCOc1ccc(-c2cc3ncccc3c(NCCCN)n2)cc1
InChIInChI=1S/C18H20N4O/c1-23-14-7-5-13(6-8-14)16-12-17-15(4-2-10-20-17)18(22-16)21-11-3-9-19/h2,4-8,10,12H,3,9,11,19H2,1H3,(H,21,22)
InChIKeyXDWDNVGQYUIZEW-UHFFFAOYSA-N
MW308.39 g/mol
LogP3.07
Rot. Bonds6

About N'-[7-(4-methoxyphenyl)-1,6-naphthyridin-5-yl]propane-1,3-diamine

N'-[7-(4-methoxyphenyl)-1,6-naphthyridin-5-yl]propane-1,3-diamine (PubChem CID 10149633) has the molecular formula C18H20N4O and a molecular weight of 308.39 g/mol. Its IUPAC name is N'-[7-(4-methoxyphenyl)-1,6-naphthyridin-5-yl]propane-1,3-diamine.

Molecular Properties

Compound NameN'-[7-(4-methoxyphenyl)-1,6-naphthyridin-5-yl]propane-1,3-diamine
PubChem CID10149633
Molecular FormulaC18H20N4O
Molecular Weight308.39 g/mol
Exact Mass308.16
IUPAC NameN'-[7-(4-methoxyphenyl)-1,6-naphthyridin-5-yl]propane-1,3-diamine
SMILESCOc1ccc(-c2cc3ncccc3c(NCCCN)n2)cc1
InChIInChI=1S/C18H20N4O/c1-23-14-7-5-13(6-8-14)16-12-17-15(4-2-10-20-17)18(22-16)21-11-3-9-19/h2,4-8,10,12H,3,9,11,19H2,1H3,(H,21,22)
InChIKeyXDWDNVGQYUIZEW-UHFFFAOYSA-N
XLogP3.07
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 53.07
H-Bond Donors ≤ 52
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'-[7-(4-methoxyphenyl)-1,6-naphthyridin-5-yl]propane-1,3-diamine?
The IUPAC name of N'-[7-(4-methoxyphenyl)-1,6-naphthyridin-5-yl]propane-1,3-diamine (CID 10149633) is N'-[7-(4-methoxyphenyl)-1,6-naphthyridin-5-yl]propane-1,3-diamine.
What is the SMILES notation for N'-[7-(4-methoxyphenyl)-1,6-naphthyridin-5-yl]propane-1,3-diamine?
The canonical SMILES for N'-[7-(4-methoxyphenyl)-1,6-naphthyridin-5-yl]propane-1,3-diamine is COc1ccc(-c2cc3ncccc3c(NCCCN)n2)cc1.
What is the InChIKey of N'-[7-(4-methoxyphenyl)-1,6-naphthyridin-5-yl]propane-1,3-diamine?
The InChIKey is XDWDNVGQYUIZEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O/c1-23-14-7-5-13(6-8-14)16-12-17-15(4-2-10-20-17)18(22-16)21-11-3-9-19/h2,4-8,10,12H,3,9,11,19H2,1H3,(H,21,22).
What are the key properties of N'-[7-(4-methoxyphenyl)-1,6-naphthyridin-5-yl]propane-1,3-diamine?
N'-[7-(4-methoxyphenyl)-1,6-naphthyridin-5-yl]propane-1,3-diamine has a molecular weight of 308.39 g/mol, XLogP of 3.07, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[7-(4-methoxyphenyl)-1,6-naphthyridin-5-yl]propane-1,3-diamine is sourced from PubChem (CID 10149633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).