6-pyridin-3-yl-2-(3-pyrrolidin-1-ylpropoxy)-7,8-dihydro-5H-1,6-naphthyridine

C20H26N4O — CID 141125990

IUPAC6-pyridin-3-yl-2-(3-pyrrolidin-1-ylpropoxy)-7,8-dihydro-5H-1,6-naphthyridine
SMILESc1cncc(N2CCc3nc(OCCCN4CCCC4)ccc3C2)c1
InChIInChI=1S/C20H26N4O/c1-2-11-23(10-1)12-4-14-25-20-7-6-17-16-24(13-8-19(17)22-20)18-5-3-9-21-15-18/h3,5-7,9,15H,1-2,4,8,10-14,16H2
InChIKeyCYOTYZYYMJKNGR-UHFFFAOYSA-N
MW338.45 g/mol
LogP2.90
Rot. Bonds6

About 6-pyridin-3-yl-2-(3-pyrrolidin-1-ylpropoxy)-7,8-dihydro-5H-1,6-naphthyridine

6-pyridin-3-yl-2-(3-pyrrolidin-1-ylpropoxy)-7,8-dihydro-5H-1,6-naphthyridine (PubChem CID 141125990) has the molecular formula C20H26N4O and a molecular weight of 338.45 g/mol. Its IUPAC name is 6-pyridin-3-yl-2-(3-pyrrolidin-1-ylpropoxy)-7,8-dihydro-5H-1,6-naphthyridine.

Molecular Properties

Compound Name6-pyridin-3-yl-2-(3-pyrrolidin-1-ylpropoxy)-7,8-dihydro-5H-1,6-naphthyridine
PubChem CID141125990
Molecular FormulaC20H26N4O
Molecular Weight338.45 g/mol
Exact Mass338.21
IUPAC Name6-pyridin-3-yl-2-(3-pyrrolidin-1-ylpropoxy)-7,8-dihydro-5H-1,6-naphthyridine
SMILESc1cncc(N2CCc3nc(OCCCN4CCCC4)ccc3C2)c1
InChIInChI=1S/C20H26N4O/c1-2-11-23(10-1)12-4-14-25-20-7-6-17-16-24(13-8-19(17)22-20)18-5-3-9-21-15-18/h3,5-7,9,15H,1-2,4,8,10-14,16H2
InChIKeyCYOTYZYYMJKNGR-UHFFFAOYSA-N
XLogP2.90
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 52.90
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 6-pyridin-3-yl-2-(3-pyrrolidin-1-ylpropoxy)-7,8-dihydro-5H-1,6-naphthyridine?
The IUPAC name of 6-pyridin-3-yl-2-(3-pyrrolidin-1-ylpropoxy)-7,8-dihydro-5H-1,6-naphthyridine (CID 141125990) is 6-pyridin-3-yl-2-(3-pyrrolidin-1-ylpropoxy)-7,8-dihydro-5H-1,6-naphthyridine.
What is the SMILES notation for 6-pyridin-3-yl-2-(3-pyrrolidin-1-ylpropoxy)-7,8-dihydro-5H-1,6-naphthyridine?
The canonical SMILES for 6-pyridin-3-yl-2-(3-pyrrolidin-1-ylpropoxy)-7,8-dihydro-5H-1,6-naphthyridine is c1cncc(N2CCc3nc(OCCCN4CCCC4)ccc3C2)c1.
What is the InChIKey of 6-pyridin-3-yl-2-(3-pyrrolidin-1-ylpropoxy)-7,8-dihydro-5H-1,6-naphthyridine?
The InChIKey is CYOTYZYYMJKNGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O/c1-2-11-23(10-1)12-4-14-25-20-7-6-17-16-24(13-8-19(17)22-20)18-5-3-9-21-15-18/h3,5-7,9,15H,1-2,4,8,10-14,16H2.
What are the key properties of 6-pyridin-3-yl-2-(3-pyrrolidin-1-ylpropoxy)-7,8-dihydro-5H-1,6-naphthyridine?
6-pyridin-3-yl-2-(3-pyrrolidin-1-ylpropoxy)-7,8-dihydro-5H-1,6-naphthyridine has a molecular weight of 338.45 g/mol, XLogP of 2.90, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-pyridin-3-yl-2-(3-pyrrolidin-1-ylpropoxy)-7,8-dihydro-5H-1,6-naphthyridine is sourced from PubChem (CID 141125990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).