N-[3-fluoro-4-(1-methylazetidin-3-yl)phenyl]-2,6-bis(phenylmethoxy)pyridin-3-amine

C29H28FN3O2 — CID 166169107

IUPACN-[3-fluoro-4-(1-methylazetidin-3-yl)phenyl]-2,6-bis(phenylmethoxy)pyridin-3-amine
SMILESCN1CC(c2ccc(Nc3ccc(OCc4ccccc4)nc3OCc3ccccc3)cc2F)C1
InChIInChI=1S/C29H28FN3O2/c1-33-17-23(18-33)25-13-12-24(16-26(25)30)31-27-14-15-28(34-19-21-8-4-2-5-9-21)32-29(27)35-20-22-10-6-3-7-11-22/h2-16,23,31H,17-20H2,1H3
InChIKeyYBMOBWZRVFHLBC-UHFFFAOYSA-N
MW469.56 g/mol
LogP6.15
Rot. Bonds9

About N-[3-fluoro-4-(1-methylazetidin-3-yl)phenyl]-2,6-bis(phenylmethoxy)pyridin-3-amine

N-[3-fluoro-4-(1-methylazetidin-3-yl)phenyl]-2,6-bis(phenylmethoxy)pyridin-3-amine (PubChem CID 166169107) has the molecular formula C29H28FN3O2 and a molecular weight of 469.56 g/mol. Its IUPAC name is N-[3-fluoro-4-(1-methylazetidin-3-yl)phenyl]-2,6-bis(phenylmethoxy)pyridin-3-amine.

Molecular Properties

Compound NameN-[3-fluoro-4-(1-methylazetidin-3-yl)phenyl]-2,6-bis(phenylmethoxy)pyridin-3-amine
PubChem CID166169107
Molecular FormulaC29H28FN3O2
Molecular Weight469.56 g/mol
Exact Mass469.22
IUPAC NameN-[3-fluoro-4-(1-methylazetidin-3-yl)phenyl]-2,6-bis(phenylmethoxy)pyridin-3-amine
SMILESCN1CC(c2ccc(Nc3ccc(OCc4ccccc4)nc3OCc3ccccc3)cc2F)C1
InChIInChI=1S/C29H28FN3O2/c1-33-17-23(18-33)25-13-12-24(16-26(25)30)31-27-14-15-28(34-19-21-8-4-2-5-9-21)32-29(27)35-20-22-10-6-3-7-11-22/h2-16,23,31H,17-20H2,1H3
InChIKeyYBMOBWZRVFHLBC-UHFFFAOYSA-N
XLogP6.15
TPSA46.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.56
LogP ≤ 56.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[3-fluoro-4-(1-methylazetidin-3-yl)phenyl]-2,6-bis(phenylmethoxy)pyridin-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-fluoro-4-(1-methylazetidin-3-yl)phenyl]-2,6-bis(phenylmethoxy)pyridin-3-amine?
The IUPAC name of N-[3-fluoro-4-(1-methylazetidin-3-yl)phenyl]-2,6-bis(phenylmethoxy)pyridin-3-amine (CID 166169107) is N-[3-fluoro-4-(1-methylazetidin-3-yl)phenyl]-2,6-bis(phenylmethoxy)pyridin-3-amine.
What is the SMILES notation for N-[3-fluoro-4-(1-methylazetidin-3-yl)phenyl]-2,6-bis(phenylmethoxy)pyridin-3-amine?
The canonical SMILES for N-[3-fluoro-4-(1-methylazetidin-3-yl)phenyl]-2,6-bis(phenylmethoxy)pyridin-3-amine is CN1CC(c2ccc(Nc3ccc(OCc4ccccc4)nc3OCc3ccccc3)cc2F)C1.
What is the InChIKey of N-[3-fluoro-4-(1-methylazetidin-3-yl)phenyl]-2,6-bis(phenylmethoxy)pyridin-3-amine?
The InChIKey is YBMOBWZRVFHLBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28FN3O2/c1-33-17-23(18-33)25-13-12-24(16-26(25)30)31-27-14-15-28(34-19-21-8-4-2-5-9-21)32-29(27)35-20-22-10-6-3-7-11-22/h2-16,23,31H,17-20H2,1H3.
What are the key properties of N-[3-fluoro-4-(1-methylazetidin-3-yl)phenyl]-2,6-bis(phenylmethoxy)pyridin-3-amine?
N-[3-fluoro-4-(1-methylazetidin-3-yl)phenyl]-2,6-bis(phenylmethoxy)pyridin-3-amine has a molecular weight of 469.56 g/mol, XLogP of 6.15, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-fluoro-4-(1-methylazetidin-3-yl)phenyl]-2,6-bis(phenylmethoxy)pyridin-3-amine is sourced from PubChem (CID 166169107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).