N-(5-chloro-3-fluoro-2-pyridinyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine

C15H21ClFN3 — CID 79728362

IUPACN-(5-chloro-3-fluoro-2-pyridinyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCCCN(c1ncc(Cl)cc1F)C1CC2CCC(C1)N2
InChIInChI=1S/C15H21ClFN3/c1-2-5-20(15-14(17)6-10(16)9-18-15)13-7-11-3-4-12(8-13)19-11/h6,9,11-13,19H,2-5,7-8H2,1H3
InChIKeyOCLBIDWQVWWGDE-UHFFFAOYSA-N
MW297.80 g/mol
LogP3.37
Rot. Bonds4

About N-(5-chloro-3-fluoro-2-pyridinyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine

N-(5-chloro-3-fluoro-2-pyridinyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 79728362) has the molecular formula C15H21ClFN3 and a molecular weight of 297.80 g/mol. Its IUPAC name is N-(5-chloro-3-fluoro-2-pyridinyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound NameN-(5-chloro-3-fluoro-2-pyridinyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID79728362
Molecular FormulaC15H21ClFN3
Molecular Weight297.80 g/mol
Exact Mass297.14
IUPAC NameN-(5-chloro-3-fluoro-2-pyridinyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCCCN(c1ncc(Cl)cc1F)C1CC2CCC(C1)N2
InChIInChI=1S/C15H21ClFN3/c1-2-5-20(15-14(17)6-10(16)9-18-15)13-7-11-3-4-12(8-13)19-11/h6,9,11-13,19H,2-5,7-8H2,1H3
InChIKeyOCLBIDWQVWWGDE-UHFFFAOYSA-N
XLogP3.37
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.80
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-3-fluoro-2-pyridinyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of N-(5-chloro-3-fluoro-2-pyridinyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine (CID 79728362) is N-(5-chloro-3-fluoro-2-pyridinyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for N-(5-chloro-3-fluoro-2-pyridinyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for N-(5-chloro-3-fluoro-2-pyridinyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine is CCCN(c1ncc(Cl)cc1F)C1CC2CCC(C1)N2.
What is the InChIKey of N-(5-chloro-3-fluoro-2-pyridinyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is OCLBIDWQVWWGDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClFN3/c1-2-5-20(15-14(17)6-10(16)9-18-15)13-7-11-3-4-12(8-13)19-11/h6,9,11-13,19H,2-5,7-8H2,1H3.
What are the key properties of N-(5-chloro-3-fluoro-2-pyridinyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine?
N-(5-chloro-3-fluoro-2-pyridinyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 297.80 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-3-fluoro-2-pyridinyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 79728362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).