3-(2-fluorophenoxy)-6-(5-isocyano-3-methyl-2-pyridinyl)-7,8-dihydro-5H-1,6-naphthyridine

C21H17FN4O — CID 176827122

IUPAC3-(2-fluorophenoxy)-6-(5-isocyano-3-methyl-2-pyridinyl)-7,8-dihydro-5H-1,6-naphthyridine
SMILES[C-]#[N+]c1cnc(N2CCc3ncc(Oc4ccccc4F)cc3C2)c(C)c1
InChIInChI=1S/C21H17FN4O/c1-14-9-16(23-2)11-25-21(14)26-8-7-19-15(13-26)10-17(12-24-19)27-20-6-4-3-5-18(20)22/h3-6,9-12H,7-8,13H2,1H3
InChIKeyFJLXPSMDMYHGRV-UHFFFAOYSA-N
MW360.39 g/mol
LogP4.83
Rot. Bonds3

About 3-(2-fluorophenoxy)-6-(5-isocyano-3-methyl-2-pyridinyl)-7,8-dihydro-5H-1,6-naphthyridine

3-(2-fluorophenoxy)-6-(5-isocyano-3-methyl-2-pyridinyl)-7,8-dihydro-5H-1,6-naphthyridine (PubChem CID 176827122) has the molecular formula C21H17FN4O and a molecular weight of 360.39 g/mol. Its IUPAC name is 3-(2-fluorophenoxy)-6-(5-isocyano-3-methyl-2-pyridinyl)-7,8-dihydro-5H-1,6-naphthyridine.

Molecular Properties

Compound Name3-(2-fluorophenoxy)-6-(5-isocyano-3-methyl-2-pyridinyl)-7,8-dihydro-5H-1,6-naphthyridine
PubChem CID176827122
Molecular FormulaC21H17FN4O
Molecular Weight360.39 g/mol
Exact Mass360.14
IUPAC Name3-(2-fluorophenoxy)-6-(5-isocyano-3-methyl-2-pyridinyl)-7,8-dihydro-5H-1,6-naphthyridine
SMILES[C-]#[N+]c1cnc(N2CCc3ncc(Oc4ccccc4F)cc3C2)c(C)c1
InChIInChI=1S/C21H17FN4O/c1-14-9-16(23-2)11-25-21(14)26-8-7-19-15(13-26)10-17(12-24-19)27-20-6-4-3-5-18(20)22/h3-6,9-12H,7-8,13H2,1H3
InChIKeyFJLXPSMDMYHGRV-UHFFFAOYSA-N
XLogP4.83
TPSA42.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.39
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[(5,6-dimethyl-2-pyridin-2-yl-3-pyridinyl)oxy]-N-(2-methoxyphenyl)pyridin-2-amine
CID 44521019
4-[(5,6-dimethyl-2-pyridin-2-yl-3-pyridinyl)oxy]-N-(3-morpholin-4-ylphenyl)pyridin-2-amine
CID 44521022
4-(5,6-Dimethyl-2-pyridin-2-yl-pyridin-3-yl)oxy-N-(4-methoxyphenyl)pyridin-2-amine
CID 44521023
4-(5,6-Dimethyl-2-pyridin-2-yl-pyridin-3-yl)oxy-N-(4-morpholin-4-ylphenyl)pyridin-2-amine
CID 44521024
U 101958
CID 5615
4-[(5,6-dimethyl-2-pyridin-2-yl-3-pyridinyl)oxy]-N-(2-morpholin-4-ylphenyl)pyridin-2-amine
CID 44521020
4-(5,6-Dimethyl-2-pyridin-2-yl-pyridin-3-yl)oxy-N-(3-methoxyphenyl)pyridin-2-amine
CID 44521021
4-(5,6-Dimethyl-2-pyridin-2-yl-pyridin-3-yl)oxy-N-(4-fluorophenyl)pyridin-2-amine
CID 44521026
6-({[5-({[2-(3-Fluorophenyl)ethyl]amino}methyl)pyridin-3-Yl]oxy}methyl)-4-Methylpyridin-2-Amine
CID 71627414
N,N-Dimethyl-4-[3-[4-[(5-methyl-2-pyridinyl)amino]phenoxy]-2-pyrazinyl]-1-piperidinecarboxamide
CID 59374169
2-(5-Methoxy-3-pyridinyl)-6-(4-pyridin-4-ylpiperazin-1-yl)pyrazine
CID 45488325
5'-ethoxy-N-(6-methylpyridin-2-yl)-2,3'-bipyridin-6'-amine
CID 11220495

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenoxy)-6-(5-isocyano-3-methyl-2-pyridinyl)-7,8-dihydro-5H-1,6-naphthyridine?
The IUPAC name of 3-(2-fluorophenoxy)-6-(5-isocyano-3-methyl-2-pyridinyl)-7,8-dihydro-5H-1,6-naphthyridine (CID 176827122) is 3-(2-fluorophenoxy)-6-(5-isocyano-3-methyl-2-pyridinyl)-7,8-dihydro-5H-1,6-naphthyridine.
What is the SMILES notation for 3-(2-fluorophenoxy)-6-(5-isocyano-3-methyl-2-pyridinyl)-7,8-dihydro-5H-1,6-naphthyridine?
The canonical SMILES for 3-(2-fluorophenoxy)-6-(5-isocyano-3-methyl-2-pyridinyl)-7,8-dihydro-5H-1,6-naphthyridine is [C-]#[N+]c1cnc(N2CCc3ncc(Oc4ccccc4F)cc3C2)c(C)c1.
What is the InChIKey of 3-(2-fluorophenoxy)-6-(5-isocyano-3-methyl-2-pyridinyl)-7,8-dihydro-5H-1,6-naphthyridine?
The InChIKey is FJLXPSMDMYHGRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN4O/c1-14-9-16(23-2)11-25-21(14)26-8-7-19-15(13-26)10-17(12-24-19)27-20-6-4-3-5-18(20)22/h3-6,9-12H,7-8,13H2,1H3.
What are the key properties of 3-(2-fluorophenoxy)-6-(5-isocyano-3-methyl-2-pyridinyl)-7,8-dihydro-5H-1,6-naphthyridine?
3-(2-fluorophenoxy)-6-(5-isocyano-3-methyl-2-pyridinyl)-7,8-dihydro-5H-1,6-naphthyridine has a molecular weight of 360.39 g/mol, XLogP of 4.83, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenoxy)-6-(5-isocyano-3-methyl-2-pyridinyl)-7,8-dihydro-5H-1,6-naphthyridine is sourced from PubChem (CID 176827122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).