4-(1,7-naphthyridin-2-yloxy)-N-(2-pyridin-3-ylethyl)-N-(pyridin-4-ylmethyl)butan-1-amine

C25H27N5O — CID 66961069

IUPAC4-(1,7-naphthyridin-2-yloxy)-N-(2-pyridin-3-ylethyl)-N-(pyridin-4-ylmethyl)butan-1-amine
SMILESc1cncc(CCN(CCCCOc2ccc3ccncc3n2)Cc2ccncc2)c1
InChIInChI=1S/C25H27N5O/c1(2-17-31-25-6-5-23-9-14-28-19-24(23)29-25)15-30(20-22-7-12-26-13-8-22)16-10-21-4-3-11-27-18-21/h3-9,11-14,18-19H,1-2,10,15-17,20H2
InChIKeyUGBCYLRVHPVLKO-UHFFFAOYSA-N
MW413.53 g/mol
LogP4.32
Rot. Bonds11

About 4-(1,7-naphthyridin-2-yloxy)-N-(2-pyridin-3-ylethyl)-N-(pyridin-4-ylmethyl)butan-1-amine

4-(1,7-naphthyridin-2-yloxy)-N-(2-pyridin-3-ylethyl)-N-(pyridin-4-ylmethyl)butan-1-amine (PubChem CID 66961069) has the molecular formula C25H27N5O and a molecular weight of 413.53 g/mol. Its IUPAC name is 4-(1,7-naphthyridin-2-yloxy)-N-(2-pyridin-3-ylethyl)-N-(pyridin-4-ylmethyl)butan-1-amine.

Molecular Properties

Compound Name4-(1,7-naphthyridin-2-yloxy)-N-(2-pyridin-3-ylethyl)-N-(pyridin-4-ylmethyl)butan-1-amine
PubChem CID66961069
Molecular FormulaC25H27N5O
Molecular Weight413.53 g/mol
Exact Mass413.22
IUPAC Name4-(1,7-naphthyridin-2-yloxy)-N-(2-pyridin-3-ylethyl)-N-(pyridin-4-ylmethyl)butan-1-amine
SMILESc1cncc(CCN(CCCCOc2ccc3ccncc3n2)Cc2ccncc2)c1
InChIInChI=1S/C25H27N5O/c1(2-17-31-25-6-5-23-9-14-28-19-24(23)29-25)15-30(20-22-7-12-26-13-8-22)16-10-21-4-3-11-27-18-21/h3-9,11-14,18-19H,1-2,10,15-17,20H2
InChIKeyUGBCYLRVHPVLKO-UHFFFAOYSA-N
XLogP4.32
TPSA64.03 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.53
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-(1,7-naphthyridin-2-yloxy)-N-(2-pyridin-3-ylethyl)-N-(pyridin-4-ylmethyl)butan-1-amine with MolForge

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Related Compounds

1-methyl-7-[3-[2-pyridin-3-ylethyl(pyridin-4-ylmethyl)amino]propoxy]quinolin-2-one;trihydrochloride
CID 70657147
1-methyl-4-[3-[2-pyridin-3-ylethyl(pyridin-4-ylmethyl)amino]propoxy]quinolin-2-one
CID 70656664
CID 161088748
CID 161088748
6-[3-[2-pyridin-3-ylethyl(pyridin-4-ylmethyl)amino]propoxy]-2H-isoquinolin-1-one;trihydrochloride
CID 66961316
5-[3-[2-pyridin-3-ylethyl(pyridin-4-ylmethyl)amino]propoxy]-2,3-dihydroisoindol-1-one;trihydrochloride
CID 66960554
1-methyl-6-[2-[2-pyridin-3-ylethyl(pyridin-4-ylmethyl)amino]ethoxy]quinolin-2-one;trihydrochloride
CID 66960035
1-methyl-6-[3-[2-pyridin-4-ylethyl(pyridin-3-ylmethyl)amino]propoxy]quinolin-2-one;trihydrochloride
CID 140651680
1-methyl-6-[3-[2-pyridin-3-ylethyl(pyridin-4-ylmethyl)amino]propoxy]-3,4-dihydroquinolin-2-one;trihydrochloride
CID 140651758
1-methyl-6-[4-[pyridin-3-ylmethyl(pyridin-4-ylmethyl)amino]butoxy]quinolin-2-one
CID 66960537
N'-ethyl-N'-(2-pyridin-3-ylethyl)propane-1,3-diamine
CID 63264719
1-methyl-6-[5-[naphthalen-2-ylmethyl(2-pyridin-3-ylethyl)amino]pentoxy]quinolin-2-one
CID 90229730
3,3,5-trimethyl-1-(3-methylbutyl)-7-[3-[2-pyridin-3-ylethyl(pyridin-4-ylmethyl)amino]propoxy]-1,5-benzodiazepine-2,4-dione;trihydrochloride
CID 68673774

Frequently Asked Questions

What is the IUPAC name of 4-(1,7-naphthyridin-2-yloxy)-N-(2-pyridin-3-ylethyl)-N-(pyridin-4-ylmethyl)butan-1-amine?
The IUPAC name of 4-(1,7-naphthyridin-2-yloxy)-N-(2-pyridin-3-ylethyl)-N-(pyridin-4-ylmethyl)butan-1-amine (CID 66961069) is 4-(1,7-naphthyridin-2-yloxy)-N-(2-pyridin-3-ylethyl)-N-(pyridin-4-ylmethyl)butan-1-amine.
What is the SMILES notation for 4-(1,7-naphthyridin-2-yloxy)-N-(2-pyridin-3-ylethyl)-N-(pyridin-4-ylmethyl)butan-1-amine?
The canonical SMILES for 4-(1,7-naphthyridin-2-yloxy)-N-(2-pyridin-3-ylethyl)-N-(pyridin-4-ylmethyl)butan-1-amine is c1cncc(CCN(CCCCOc2ccc3ccncc3n2)Cc2ccncc2)c1.
What is the InChIKey of 4-(1,7-naphthyridin-2-yloxy)-N-(2-pyridin-3-ylethyl)-N-(pyridin-4-ylmethyl)butan-1-amine?
The InChIKey is UGBCYLRVHPVLKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O/c1(2-17-31-25-6-5-23-9-14-28-19-24(23)29-25)15-30(20-22-7-12-26-13-8-22)16-10-21-4-3-11-27-18-21/h3-9,11-14,18-19H,1-2,10,15-17,20H2.
What are the key properties of 4-(1,7-naphthyridin-2-yloxy)-N-(2-pyridin-3-ylethyl)-N-(pyridin-4-ylmethyl)butan-1-amine?
4-(1,7-naphthyridin-2-yloxy)-N-(2-pyridin-3-ylethyl)-N-(pyridin-4-ylmethyl)butan-1-amine has a molecular weight of 413.53 g/mol, XLogP of 4.32, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,7-naphthyridin-2-yloxy)-N-(2-pyridin-3-ylethyl)-N-(pyridin-4-ylmethyl)butan-1-amine is sourced from PubChem (CID 66961069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).