3-(aminomethyl)-N-benzyl-4-(2-fluorophenyl)-6-(furan-2-yl)pyridin-2-amine

C23H20FN3O — CID 142908404

IUPAC3-(aminomethyl)-N-benzyl-4-(2-fluorophenyl)-6-(furan-2-yl)pyridin-2-amine
SMILESNCc1c(-c2ccccc2F)cc(-c2ccco2)nc1NCc1ccccc1
InChIInChI=1S/C23H20FN3O/c24-20-10-5-4-9-17(20)18-13-21(22-11-6-12-28-22)27-23(19(18)14-25)26-15-16-7-2-1-3-8-16/h1-13H,14-15,25H2,(H,26,27)
InChIKeyBGPXFRRWXQOVCH-UHFFFAOYSA-N
MW373.43 g/mol
LogP5.22
Rot. Bonds6

About 3-(aminomethyl)-N-benzyl-4-(2-fluorophenyl)-6-(furan-2-yl)pyridin-2-amine

3-(aminomethyl)-N-benzyl-4-(2-fluorophenyl)-6-(furan-2-yl)pyridin-2-amine (PubChem CID 142908404) has the molecular formula C23H20FN3O and a molecular weight of 373.43 g/mol. Its IUPAC name is 3-(aminomethyl)-N-benzyl-4-(2-fluorophenyl)-6-(furan-2-yl)pyridin-2-amine.

Molecular Properties

Compound Name3-(aminomethyl)-N-benzyl-4-(2-fluorophenyl)-6-(furan-2-yl)pyridin-2-amine
PubChem CID142908404
Molecular FormulaC23H20FN3O
Molecular Weight373.43 g/mol
Exact Mass373.16
IUPAC Name3-(aminomethyl)-N-benzyl-4-(2-fluorophenyl)-6-(furan-2-yl)pyridin-2-amine
SMILESNCc1c(-c2ccccc2F)cc(-c2ccco2)nc1NCc1ccccc1
InChIInChI=1S/C23H20FN3O/c24-20-10-5-4-9-17(20)18-13-21(22-11-6-12-28-22)27-23(19(18)14-25)26-15-16-7-2-1-3-8-16/h1-13H,14-15,25H2,(H,26,27)
InChIKeyBGPXFRRWXQOVCH-UHFFFAOYSA-N
XLogP5.22
TPSA64.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.43
LogP ≤ 55.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-benzyl-4-(2-fluorophenyl)-6-(furan-2-yl)pyridin-2-amine?
The IUPAC name of 3-(aminomethyl)-N-benzyl-4-(2-fluorophenyl)-6-(furan-2-yl)pyridin-2-amine (CID 142908404) is 3-(aminomethyl)-N-benzyl-4-(2-fluorophenyl)-6-(furan-2-yl)pyridin-2-amine.
What is the SMILES notation for 3-(aminomethyl)-N-benzyl-4-(2-fluorophenyl)-6-(furan-2-yl)pyridin-2-amine?
The canonical SMILES for 3-(aminomethyl)-N-benzyl-4-(2-fluorophenyl)-6-(furan-2-yl)pyridin-2-amine is NCc1c(-c2ccccc2F)cc(-c2ccco2)nc1NCc1ccccc1.
What is the InChIKey of 3-(aminomethyl)-N-benzyl-4-(2-fluorophenyl)-6-(furan-2-yl)pyridin-2-amine?
The InChIKey is BGPXFRRWXQOVCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN3O/c24-20-10-5-4-9-17(20)18-13-21(22-11-6-12-28-22)27-23(19(18)14-25)26-15-16-7-2-1-3-8-16/h1-13H,14-15,25H2,(H,26,27).
What are the key properties of 3-(aminomethyl)-N-benzyl-4-(2-fluorophenyl)-6-(furan-2-yl)pyridin-2-amine?
3-(aminomethyl)-N-benzyl-4-(2-fluorophenyl)-6-(furan-2-yl)pyridin-2-amine has a molecular weight of 373.43 g/mol, XLogP of 5.22, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-benzyl-4-(2-fluorophenyl)-6-(furan-2-yl)pyridin-2-amine is sourced from PubChem (CID 142908404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).