3-[1-(azetidin-1-yl)-6-chloro-2,7-naphthyridin-4-yl]butanenitrile

C15H15ClN4 — CID 166546799

IUPAC3-[1-(azetidin-1-yl)-6-chloro-2,7-naphthyridin-4-yl]butanenitrile
SMILESCC(CC#N)c1cnc(N2CCC2)c2cnc(Cl)cc12
InChIInChI=1S/C15H15ClN4/c1-10(3-4-17)12-8-19-15(20-5-2-6-20)13-9-18-14(16)7-11(12)13/h7-10H,2-3,5-6H2,1H3
InChIKeyCORVJOGJIGNPBU-UHFFFAOYSA-N
MW286.77 g/mol
LogP3.51
Rot. Bonds3

About 3-[1-(azetidin-1-yl)-6-chloro-2,7-naphthyridin-4-yl]butanenitrile

3-[1-(azetidin-1-yl)-6-chloro-2,7-naphthyridin-4-yl]butanenitrile (PubChem CID 166546799) has the molecular formula C15H15ClN4 and a molecular weight of 286.77 g/mol. Its IUPAC name is 3-[1-(azetidin-1-yl)-6-chloro-2,7-naphthyridin-4-yl]butanenitrile.

Molecular Properties

Compound Name3-[1-(azetidin-1-yl)-6-chloro-2,7-naphthyridin-4-yl]butanenitrile
PubChem CID166546799
Molecular FormulaC15H15ClN4
Molecular Weight286.77 g/mol
Exact Mass286.10
IUPAC Name3-[1-(azetidin-1-yl)-6-chloro-2,7-naphthyridin-4-yl]butanenitrile
SMILESCC(CC#N)c1cnc(N2CCC2)c2cnc(Cl)cc12
InChIInChI=1S/C15H15ClN4/c1-10(3-4-17)12-8-19-15(20-5-2-6-20)13-9-18-14(16)7-11(12)13/h7-10H,2-3,5-6H2,1H3
InChIKeyCORVJOGJIGNPBU-UHFFFAOYSA-N
XLogP3.51
TPSA52.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.77
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(azetidin-1-yl)-6-chloro-2,7-naphthyridin-4-yl]butanenitrile?
The IUPAC name of 3-[1-(azetidin-1-yl)-6-chloro-2,7-naphthyridin-4-yl]butanenitrile (CID 166546799) is 3-[1-(azetidin-1-yl)-6-chloro-2,7-naphthyridin-4-yl]butanenitrile.
What is the SMILES notation for 3-[1-(azetidin-1-yl)-6-chloro-2,7-naphthyridin-4-yl]butanenitrile?
The canonical SMILES for 3-[1-(azetidin-1-yl)-6-chloro-2,7-naphthyridin-4-yl]butanenitrile is CC(CC#N)c1cnc(N2CCC2)c2cnc(Cl)cc12.
What is the InChIKey of 3-[1-(azetidin-1-yl)-6-chloro-2,7-naphthyridin-4-yl]butanenitrile?
The InChIKey is CORVJOGJIGNPBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN4/c1-10(3-4-17)12-8-19-15(20-5-2-6-20)13-9-18-14(16)7-11(12)13/h7-10H,2-3,5-6H2,1H3.
What are the key properties of 3-[1-(azetidin-1-yl)-6-chloro-2,7-naphthyridin-4-yl]butanenitrile?
3-[1-(azetidin-1-yl)-6-chloro-2,7-naphthyridin-4-yl]butanenitrile has a molecular weight of 286.77 g/mol, XLogP of 3.51, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(azetidin-1-yl)-6-chloro-2,7-naphthyridin-4-yl]butanenitrile is sourced from PubChem (CID 166546799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).