2-fluoro-3-N,6-diphenyl-4-N-propan-2-ylpyridine-3,4-diamine

C20H20FN3 — CID 175056011

IUPAC2-fluoro-3-N,6-diphenyl-4-N-propan-2-ylpyridine-3,4-diamine
SMILESCC(C)Nc1cc(-c2ccccc2)nc(F)c1Nc1ccccc1
InChIInChI=1S/C20H20FN3/c1-14(2)22-18-13-17(15-9-5-3-6-10-15)24-20(21)19(18)23-16-11-7-4-8-12-16/h3-14,23H,1-2H3,(H,22,24)
InChIKeyXTWIZQBUMJCVDC-UHFFFAOYSA-N
MW321.40 g/mol
LogP5.45
Rot. Bonds5

About 2-fluoro-3-N,6-diphenyl-4-N-propan-2-ylpyridine-3,4-diamine

2-fluoro-3-N,6-diphenyl-4-N-propan-2-ylpyridine-3,4-diamine (PubChem CID 175056011) has the molecular formula C20H20FN3 and a molecular weight of 321.40 g/mol. Its IUPAC name is 2-fluoro-3-N,6-diphenyl-4-N-propan-2-ylpyridine-3,4-diamine.

Molecular Properties

Compound Name2-fluoro-3-N,6-diphenyl-4-N-propan-2-ylpyridine-3,4-diamine
PubChem CID175056011
Molecular FormulaC20H20FN3
Molecular Weight321.40 g/mol
Exact Mass321.16
IUPAC Name2-fluoro-3-N,6-diphenyl-4-N-propan-2-ylpyridine-3,4-diamine
SMILESCC(C)Nc1cc(-c2ccccc2)nc(F)c1Nc1ccccc1
InChIInChI=1S/C20H20FN3/c1-14(2)22-18-13-17(15-9-5-3-6-10-15)24-20(21)19(18)23-16-11-7-4-8-12-16/h3-14,23H,1-2H3,(H,22,24)
InChIKeyXTWIZQBUMJCVDC-UHFFFAOYSA-N
XLogP5.45
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.40
LogP ≤ 55.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-N,6-diphenyl-4-N-propan-2-ylpyridine-3,4-diamine?
The IUPAC name of 2-fluoro-3-N,6-diphenyl-4-N-propan-2-ylpyridine-3,4-diamine (CID 175056011) is 2-fluoro-3-N,6-diphenyl-4-N-propan-2-ylpyridine-3,4-diamine.
What is the SMILES notation for 2-fluoro-3-N,6-diphenyl-4-N-propan-2-ylpyridine-3,4-diamine?
The canonical SMILES for 2-fluoro-3-N,6-diphenyl-4-N-propan-2-ylpyridine-3,4-diamine is CC(C)Nc1cc(-c2ccccc2)nc(F)c1Nc1ccccc1.
What is the InChIKey of 2-fluoro-3-N,6-diphenyl-4-N-propan-2-ylpyridine-3,4-diamine?
The InChIKey is XTWIZQBUMJCVDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3/c1-14(2)22-18-13-17(15-9-5-3-6-10-15)24-20(21)19(18)23-16-11-7-4-8-12-16/h3-14,23H,1-2H3,(H,22,24).
What are the key properties of 2-fluoro-3-N,6-diphenyl-4-N-propan-2-ylpyridine-3,4-diamine?
2-fluoro-3-N,6-diphenyl-4-N-propan-2-ylpyridine-3,4-diamine has a molecular weight of 321.40 g/mol, XLogP of 5.45, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-N,6-diphenyl-4-N-propan-2-ylpyridine-3,4-diamine is sourced from PubChem (CID 175056011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).