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

C13H13FN4O2 — CID 171399370

IUPAC2-ethoxy-6-[(6-fluoro-2-pyridinyl)amino]pyridine-3-carboxamide
SMILESCCOc1nc(Nc2cccc(F)n2)ccc1C(N)=O
InChIInChI=1S/C13H13FN4O2/c1-2-20-13-8(12(15)19)6-7-11(18-13)17-10-5-3-4-9(14)16-10/h3-7H,2H2,1H3,(H2,15,19)(H,16,17,18)
InChIKeyRRJVONRXSLLFAL-UHFFFAOYSA-N
MW276.27 g/mol
LogP1.86
Rot. Bonds5

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

2-ethoxy-6-[(6-fluoro-2-pyridinyl)amino]pyridine-3-carboxamide (PubChem CID 171399370) has the molecular formula C13H13FN4O2 and a molecular weight of 276.27 g/mol. Its IUPAC name is 2-ethoxy-6-[(6-fluoro-2-pyridinyl)amino]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-ethoxy-6-[(6-fluoro-2-pyridinyl)amino]pyridine-3-carboxamide
PubChem CID171399370
Molecular FormulaC13H13FN4O2
Molecular Weight276.27 g/mol
Exact Mass276.10
IUPAC Name2-ethoxy-6-[(6-fluoro-2-pyridinyl)amino]pyridine-3-carboxamide
SMILESCCOc1nc(Nc2cccc(F)n2)ccc1C(N)=O
InChIInChI=1S/C13H13FN4O2/c1-2-20-13-8(12(15)19)6-7-11(18-13)17-10-5-3-4-9(14)16-10/h3-7H,2H2,1H3,(H2,15,19)(H,16,17,18)
InChIKeyRRJVONRXSLLFAL-UHFFFAOYSA-N
XLogP1.86
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.27
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl N-(6-fluoro-2-pyridinyl)carbamate
CID 45119575
6-[(6-fluoro-2-pyridinyl)amino]-2-[2-(methanesulfonamido)anilino]pyridine-3-carboxamide
CID 175973689
ethyl 2-[(6-fluoro-2-pyridinyl)sulfamoyl]acetate
CID 104821537
ethyl 2-amino-3-[(6-fluoro-2-pyridinyl)amino]-3-oxopropanoate
CID 116813320
propan-2-yl 2-ethoxy-6-fluoropyridine-3-carboxylate
CID 133054531
2-amino-4-ethoxypyrimidine-5-carboxamide
CID 143881535
methyl 2-[(6-fluoro-2-pyridinyl)amino]acetate
CID 54594897
N-(6-fluoro-2-pyridinyl)-3,3-dimethylbutanamide
CID 104820780
(2S,3S)-2-amino-N-(6-fluoro-2-pyridinyl)-3-methylpentanamide
CID 104893705
ethyl 3-[(6-fluoro-2-pyridinyl)amino]cyclohexane-1-carboxylate
CID 116813100
N-(6-fluoro-2-pyridinyl)pentanamide
CID 104820722
2-ethoxy-N'-hydroxy-6-methylpyridine-3-carboximidamide
CID 76916350

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-6-[(6-fluoro-2-pyridinyl)amino]pyridine-3-carboxamide?
The IUPAC name of 2-ethoxy-6-[(6-fluoro-2-pyridinyl)amino]pyridine-3-carboxamide (CID 171399370) is 2-ethoxy-6-[(6-fluoro-2-pyridinyl)amino]pyridine-3-carboxamide.
What is the SMILES notation for 2-ethoxy-6-[(6-fluoro-2-pyridinyl)amino]pyridine-3-carboxamide?
The canonical SMILES for 2-ethoxy-6-[(6-fluoro-2-pyridinyl)amino]pyridine-3-carboxamide is CCOc1nc(Nc2cccc(F)n2)ccc1C(N)=O.
What is the InChIKey of 2-ethoxy-6-[(6-fluoro-2-pyridinyl)amino]pyridine-3-carboxamide?
The InChIKey is RRJVONRXSLLFAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN4O2/c1-2-20-13-8(12(15)19)6-7-11(18-13)17-10-5-3-4-9(14)16-10/h3-7H,2H2,1H3,(H2,15,19)(H,16,17,18).
What are the key properties of 2-ethoxy-6-[(6-fluoro-2-pyridinyl)amino]pyridine-3-carboxamide?
2-ethoxy-6-[(6-fluoro-2-pyridinyl)amino]pyridine-3-carboxamide has a molecular weight of 276.27 g/mol, XLogP of 1.86, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-6-[(6-fluoro-2-pyridinyl)amino]pyridine-3-carboxamide is sourced from PubChem (CID 171399370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).