2-N-ethyl-4-N-(4-fluoro-3-methoxyphenyl)pyridine-2,4-diamine

C14H16FN3O — CID 114841089

IUPAC2-N-ethyl-4-N-(4-fluoro-3-methoxyphenyl)pyridine-2,4-diamine
SMILESCCNc1cc(Nc2ccc(F)c(OC)c2)ccn1
InChIInChI=1S/C14H16FN3O/c1-3-16-14-9-11(6-7-17-14)18-10-4-5-12(15)13(8-10)19-2/h4-9H,3H2,1-2H3,(H2,16,17,18)
InChIKeyBDBKWMAKTSNHLR-UHFFFAOYSA-N
MW261.30 g/mol
LogP3.40
Rot. Bonds5

About 2-N-ethyl-4-N-(4-fluoro-3-methoxyphenyl)pyridine-2,4-diamine

2-N-ethyl-4-N-(4-fluoro-3-methoxyphenyl)pyridine-2,4-diamine (PubChem CID 114841089) has the molecular formula C14H16FN3O and a molecular weight of 261.30 g/mol. Its IUPAC name is 2-N-ethyl-4-N-(4-fluoro-3-methoxyphenyl)pyridine-2,4-diamine.

Molecular Properties

Compound Name2-N-ethyl-4-N-(4-fluoro-3-methoxyphenyl)pyridine-2,4-diamine
PubChem CID114841089
Molecular FormulaC14H16FN3O
Molecular Weight261.30 g/mol
Exact Mass261.13
IUPAC Name2-N-ethyl-4-N-(4-fluoro-3-methoxyphenyl)pyridine-2,4-diamine
SMILESCCNc1cc(Nc2ccc(F)c(OC)c2)ccn1
InChIInChI=1S/C14H16FN3O/c1-3-16-14-9-11(6-7-17-14)18-10-4-5-12(15)13(8-10)19-2/h4-9H,3H2,1-2H3,(H2,16,17,18)
InChIKeyBDBKWMAKTSNHLR-UHFFFAOYSA-N
XLogP3.40
TPSA46.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-N-ethyl-4-N-(4-fluoro-3-methoxyphenyl)pyridine-2,4-diamine 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 2-N-ethyl-4-N-(4-fluoro-3-methoxyphenyl)pyridine-2,4-diamine?
The IUPAC name of 2-N-ethyl-4-N-(4-fluoro-3-methoxyphenyl)pyridine-2,4-diamine (CID 114841089) is 2-N-ethyl-4-N-(4-fluoro-3-methoxyphenyl)pyridine-2,4-diamine.
What is the SMILES notation for 2-N-ethyl-4-N-(4-fluoro-3-methoxyphenyl)pyridine-2,4-diamine?
The canonical SMILES for 2-N-ethyl-4-N-(4-fluoro-3-methoxyphenyl)pyridine-2,4-diamine is CCNc1cc(Nc2ccc(F)c(OC)c2)ccn1.
What is the InChIKey of 2-N-ethyl-4-N-(4-fluoro-3-methoxyphenyl)pyridine-2,4-diamine?
The InChIKey is BDBKWMAKTSNHLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O/c1-3-16-14-9-11(6-7-17-14)18-10-4-5-12(15)13(8-10)19-2/h4-9H,3H2,1-2H3,(H2,16,17,18).
What are the key properties of 2-N-ethyl-4-N-(4-fluoro-3-methoxyphenyl)pyridine-2,4-diamine?
2-N-ethyl-4-N-(4-fluoro-3-methoxyphenyl)pyridine-2,4-diamine has a molecular weight of 261.30 g/mol, XLogP of 3.40, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-4-N-(4-fluoro-3-methoxyphenyl)pyridine-2,4-diamine is sourced from PubChem (CID 114841089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).