6-fluoro-2-[(5-fluoro-3-pyridinyl)amino]pyridine-3-carboxamide

C11H8F2N4O — CID 67509276

IUPAC6-fluoro-2-[(5-fluoro-3-pyridinyl)amino]pyridine-3-carboxamide
SMILESNC(=O)c1ccc(F)nc1Nc1cncc(F)c1
InChIInChI=1S/C11H8F2N4O/c12-6-3-7(5-15-4-6)16-11-8(10(14)18)1-2-9(13)17-11/h1-5H,(H2,14,18)(H,16,17)
InChIKeyKHTYEUCQLXNNIH-UHFFFAOYSA-N
MW250.21 g/mol
LogP1.60
Rot. Bonds3

About 6-fluoro-2-[(5-fluoro-3-pyridinyl)amino]pyridine-3-carboxamide

6-fluoro-2-[(5-fluoro-3-pyridinyl)amino]pyridine-3-carboxamide (PubChem CID 67509276) has the molecular formula C11H8F2N4O and a molecular weight of 250.21 g/mol. Its IUPAC name is 6-fluoro-2-[(5-fluoro-3-pyridinyl)amino]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-fluoro-2-[(5-fluoro-3-pyridinyl)amino]pyridine-3-carboxamide
PubChem CID67509276
Molecular FormulaC11H8F2N4O
Molecular Weight250.21 g/mol
Exact Mass250.07
IUPAC Name6-fluoro-2-[(5-fluoro-3-pyridinyl)amino]pyridine-3-carboxamide
SMILESNC(=O)c1ccc(F)nc1Nc1cncc(F)c1
InChIInChI=1S/C11H8F2N4O/c12-6-3-7(5-15-4-6)16-11-8(10(14)18)1-2-9(13)17-11/h1-5H,(H2,14,18)(H,16,17)
InChIKeyKHTYEUCQLXNNIH-UHFFFAOYSA-N
XLogP1.60
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.21
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-fluoro-2-[(5-fluoro-3-pyridinyl)amino]pyridine-3-carboxamide 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 6-fluoro-2-[(5-fluoro-3-pyridinyl)amino]pyridine-3-carboxamide?
The IUPAC name of 6-fluoro-2-[(5-fluoro-3-pyridinyl)amino]pyridine-3-carboxamide (CID 67509276) is 6-fluoro-2-[(5-fluoro-3-pyridinyl)amino]pyridine-3-carboxamide.
What is the SMILES notation for 6-fluoro-2-[(5-fluoro-3-pyridinyl)amino]pyridine-3-carboxamide?
The canonical SMILES for 6-fluoro-2-[(5-fluoro-3-pyridinyl)amino]pyridine-3-carboxamide is NC(=O)c1ccc(F)nc1Nc1cncc(F)c1.
What is the InChIKey of 6-fluoro-2-[(5-fluoro-3-pyridinyl)amino]pyridine-3-carboxamide?
The InChIKey is KHTYEUCQLXNNIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F2N4O/c12-6-3-7(5-15-4-6)16-11-8(10(14)18)1-2-9(13)17-11/h1-5H,(H2,14,18)(H,16,17).
What are the key properties of 6-fluoro-2-[(5-fluoro-3-pyridinyl)amino]pyridine-3-carboxamide?
6-fluoro-2-[(5-fluoro-3-pyridinyl)amino]pyridine-3-carboxamide has a molecular weight of 250.21 g/mol, XLogP of 1.60, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-[(5-fluoro-3-pyridinyl)amino]pyridine-3-carboxamide is sourced from PubChem (CID 67509276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).