N-[1-(5-fluoro-2-pyridinyl)propyl]-8λ4-selena-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaen-2-amine

About N-[1-(5-fluoro-2-pyridinyl)propyl]-8λ4-selena-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaen-2-amine

N-[1-(5-fluoro-2-pyridinyl)propyl]-8λ4-selena-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaen-2-amine (PubChem CID 115938553) has the molecular formula C14H13FN4Se and a molecular weight of 335.24 g/mol. Its IUPAC name is N-[1-(5-fluoro-2-pyridinyl)propyl]-8λ4-selena-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaen-2-amine.

Molecular Properties

Compound Name	N-[1-(5-fluoro-2-pyridinyl)propyl]-8λ4-selena-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaen-2-amine
PubChem CID	115938553
Molecular Formula	C14H13FN4Se
Molecular Weight	335.24 g/mol
Exact Mass	336.03
IUPAC Name	N-[1-(5-fluoro-2-pyridinyl)propyl]-8λ4-selena-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaen-2-amine
SMILES	CCC(Nc1cccc2c1N=[Se]=N2)c1ccc(F)cn1
InChI	InChI=1S/C14H13FN4Se/c1-2-10(11-7-6-9(15)8-16-11)17-12-4-3-5-13-14(12)19-20-18-13/h3-8,10,17H,2H2,1H3
InChIKey	ZNLSRPOIECSLSP-UHFFFAOYSA-N
XLogP	4.13
TPSA	49.64 Å²
H-Bond Donors	1
H-Bond Acceptors	4
Rotatable Bonds	4
Heavy Atoms	20
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	335.24
LogP ≤ 5	4.13
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-fluoro-2-pyridinyl)propyl]-8λ4-selena-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaen-2-amine?

The IUPAC name of N-[1-(5-fluoro-2-pyridinyl)propyl]-8λ4-selena-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaen-2-amine (CID 115938553) is N-[1-(5-fluoro-2-pyridinyl)propyl]-8λ4-selena-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaen-2-amine.

What is the SMILES notation for N-[1-(5-fluoro-2-pyridinyl)propyl]-8λ4-selena-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaen-2-amine?

The canonical SMILES for N-[1-(5-fluoro-2-pyridinyl)propyl]-8λ4-selena-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaen-2-amine is CCC(Nc1cccc2c1N=[Se]=N2)c1ccc(F)cn1.

What is the InChIKey of N-[1-(5-fluoro-2-pyridinyl)propyl]-8λ4-selena-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaen-2-amine?

The InChIKey is ZNLSRPOIECSLSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN4Se/c1-2-10(11-7-6-9(15)8-16-11)17-12-4-3-5-13-14(12)19-20-18-13/h3-8,10,17H,2H2,1H3.

What are the key properties of N-[1-(5-fluoro-2-pyridinyl)propyl]-8λ4-selena-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaen-2-amine?

N-[1-(5-fluoro-2-pyridinyl)propyl]-8λ4-selena-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaen-2-amine has a molecular weight of 335.24 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-(5-fluoro-2-pyridinyl)propyl]-8λ4-selena-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaen-2-amine is sourced from PubChem (CID 115938553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).