6-fluoro-2-(isoquinolin-6-ylamino)pyridine-3-carboxamide

C15H11FN4O — CID 141334616

IUPAC6-fluoro-2-(isoquinolin-6-ylamino)pyridine-3-carboxamide
SMILESNC(=O)c1ccc(F)nc1Nc1ccc2cnccc2c1
InChIInChI=1S/C15H11FN4O/c16-13-4-3-12(14(17)21)15(20-13)19-11-2-1-10-8-18-6-5-9(10)7-11/h1-8H,(H2,17,21)(H,19,20)
InChIKeyAMVTXTJQRQMEHN-UHFFFAOYSA-N
MW282.28 g/mol
LogP2.61
Rot. Bonds3

About 6-fluoro-2-(isoquinolin-6-ylamino)pyridine-3-carboxamide

6-fluoro-2-(isoquinolin-6-ylamino)pyridine-3-carboxamide (PubChem CID 141334616) has the molecular formula C15H11FN4O and a molecular weight of 282.28 g/mol. Its IUPAC name is 6-fluoro-2-(isoquinolin-6-ylamino)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-fluoro-2-(isoquinolin-6-ylamino)pyridine-3-carboxamide
PubChem CID141334616
Molecular FormulaC15H11FN4O
Molecular Weight282.28 g/mol
Exact Mass282.09
IUPAC Name6-fluoro-2-(isoquinolin-6-ylamino)pyridine-3-carboxamide
SMILESNC(=O)c1ccc(F)nc1Nc1ccc2cnccc2c1
InChIInChI=1S/C15H11FN4O/c16-13-4-3-12(14(17)21)15(20-13)19-11-2-1-10-8-18-6-5-9(10)7-11/h1-8H,(H2,17,21)(H,19,20)
InChIKeyAMVTXTJQRQMEHN-UHFFFAOYSA-N
XLogP2.61
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.28
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 6-fluoro-2-(isoquinolin-6-ylamino)pyridine-3-carboxamide?
The IUPAC name of 6-fluoro-2-(isoquinolin-6-ylamino)pyridine-3-carboxamide (CID 141334616) is 6-fluoro-2-(isoquinolin-6-ylamino)pyridine-3-carboxamide.
What is the SMILES notation for 6-fluoro-2-(isoquinolin-6-ylamino)pyridine-3-carboxamide?
The canonical SMILES for 6-fluoro-2-(isoquinolin-6-ylamino)pyridine-3-carboxamide is NC(=O)c1ccc(F)nc1Nc1ccc2cnccc2c1.
What is the InChIKey of 6-fluoro-2-(isoquinolin-6-ylamino)pyridine-3-carboxamide?
The InChIKey is AMVTXTJQRQMEHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN4O/c16-13-4-3-12(14(17)21)15(20-13)19-11-2-1-10-8-18-6-5-9(10)7-11/h1-8H,(H2,17,21)(H,19,20).
What are the key properties of 6-fluoro-2-(isoquinolin-6-ylamino)pyridine-3-carboxamide?
6-fluoro-2-(isoquinolin-6-ylamino)pyridine-3-carboxamide has a molecular weight of 282.28 g/mol, XLogP of 2.61, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-(isoquinolin-6-ylamino)pyridine-3-carboxamide is sourced from PubChem (CID 141334616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).