5-(2,4-difluorophenyl)-N-phenyl-6-phenylmethoxypyridin-3-amine

C24H18F2N2O — CID 166033651

IUPAC5-(2,4-difluorophenyl)-N-phenyl-6-phenylmethoxypyridin-3-amine
SMILESFc1ccc(-c2cc(Nc3ccccc3)cnc2OCc2ccccc2)c(F)c1
InChIInChI=1S/C24H18F2N2O/c25-18-11-12-21(23(26)13-18)22-14-20(28-19-9-5-2-6-10-19)15-27-24(22)29-16-17-7-3-1-4-8-17/h1-15,28H,16H2
InChIKeyKEKRRJDLZACLRF-UHFFFAOYSA-N
MW388.42 g/mol
LogP6.35
Rot. Bonds6

About 5-(2,4-difluorophenyl)-N-phenyl-6-phenylmethoxypyridin-3-amine

5-(2,4-difluorophenyl)-N-phenyl-6-phenylmethoxypyridin-3-amine (PubChem CID 166033651) has the molecular formula C24H18F2N2O and a molecular weight of 388.42 g/mol. Its IUPAC name is 5-(2,4-difluorophenyl)-N-phenyl-6-phenylmethoxypyridin-3-amine.

Molecular Properties

Compound Name5-(2,4-difluorophenyl)-N-phenyl-6-phenylmethoxypyridin-3-amine
PubChem CID166033651
Molecular FormulaC24H18F2N2O
Molecular Weight388.42 g/mol
Exact Mass388.14
IUPAC Name5-(2,4-difluorophenyl)-N-phenyl-6-phenylmethoxypyridin-3-amine
SMILESFc1ccc(-c2cc(Nc3ccccc3)cnc2OCc2ccccc2)c(F)c1
InChIInChI=1S/C24H18F2N2O/c25-18-11-12-21(23(26)13-18)22-14-20(28-19-9-5-2-6-10-19)15-27-24(22)29-16-17-7-3-1-4-8-17/h1-15,28H,16H2
InChIKeyKEKRRJDLZACLRF-UHFFFAOYSA-N
XLogP6.35
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.42
LogP ≤ 56.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2,4-difluorophenyl)-N-phenyl-6-phenylmethoxypyridin-3-amine?
The IUPAC name of 5-(2,4-difluorophenyl)-N-phenyl-6-phenylmethoxypyridin-3-amine (CID 166033651) is 5-(2,4-difluorophenyl)-N-phenyl-6-phenylmethoxypyridin-3-amine.
What is the SMILES notation for 5-(2,4-difluorophenyl)-N-phenyl-6-phenylmethoxypyridin-3-amine?
The canonical SMILES for 5-(2,4-difluorophenyl)-N-phenyl-6-phenylmethoxypyridin-3-amine is Fc1ccc(-c2cc(Nc3ccccc3)cnc2OCc2ccccc2)c(F)c1.
What is the InChIKey of 5-(2,4-difluorophenyl)-N-phenyl-6-phenylmethoxypyridin-3-amine?
The InChIKey is KEKRRJDLZACLRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F2N2O/c25-18-11-12-21(23(26)13-18)22-14-20(28-19-9-5-2-6-10-19)15-27-24(22)29-16-17-7-3-1-4-8-17/h1-15,28H,16H2.
What are the key properties of 5-(2,4-difluorophenyl)-N-phenyl-6-phenylmethoxypyridin-3-amine?
5-(2,4-difluorophenyl)-N-phenyl-6-phenylmethoxypyridin-3-amine has a molecular weight of 388.42 g/mol, XLogP of 6.35, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-difluorophenyl)-N-phenyl-6-phenylmethoxypyridin-3-amine is sourced from PubChem (CID 166033651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).