2-fluoro-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyridine-3-carboxamide

C11H14FN3O2 — CID 107358475

IUPAC2-fluoro-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyridine-3-carboxamide
SMILESCC(C)NC(=O)CNC(=O)c1cccnc1F
InChIInChI=1S/C11H14FN3O2/c1-7(2)15-9(16)6-14-11(17)8-4-3-5-13-10(8)12/h3-5,7H,6H2,1-2H3,(H,14,17)(H,15,16)
InChIKeyOQJDFBJVWJVTDY-UHFFFAOYSA-N
MW239.25 g/mol
LogP0.48
Rot. Bonds4

About 2-fluoro-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyridine-3-carboxamide

2-fluoro-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyridine-3-carboxamide (PubChem CID 107358475) has the molecular formula C11H14FN3O2 and a molecular weight of 239.25 g/mol. Its IUPAC name is 2-fluoro-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-fluoro-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyridine-3-carboxamide
PubChem CID107358475
Molecular FormulaC11H14FN3O2
Molecular Weight239.25 g/mol
Exact Mass239.11
IUPAC Name2-fluoro-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyridine-3-carboxamide
SMILESCC(C)NC(=O)CNC(=O)c1cccnc1F
InChIInChI=1S/C11H14FN3O2/c1-7(2)15-9(16)6-14-11(17)8-4-3-5-13-10(8)12/h3-5,7H,6H2,1-2H3,(H,14,17)(H,15,16)
InChIKeyOQJDFBJVWJVTDY-UHFFFAOYSA-N
XLogP0.48
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.25
LogP ≤ 50.48
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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Related Compounds

2-fluoro-N-propan-2-ylpyridine-3-carboxamide
CID 83404912
3-hydroxy-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyridine-2-carboxamide
CID 54861412
2-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]benzoic acid
CID 43567862
2-iodo-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 27742948
methyl (2S)-2-[(2-fluoropyridine-3-carbonyl)amino]propanoate
CID 107358613
2-fluoro-N-(1-hydroxy-4-methylpentan-2-yl)pyridine-3-carboxamide
CID 107358920
N-(2-ethylsulfonylethyl)-2-fluoropyridine-3-carboxamide
CID 107358822
2-fluoro-N-(4-methoxybutyl)pyridine-3-carboxamide
CID 107358712
methyl 2-[(2-fluoropyridine-3-carbonyl)amino]-3-methylbutanoate
CID 107358834
N-[(1-ethylimidazol-2-yl)methyl]-2-fluoropyridine-3-carboxamide
CID 154879514
2-fluoro-N-[4-(4-hydroxyphenyl)butan-2-yl]pyridine-3-carboxamide
CID 107363208
N-tert-butyl-2-fluoropyridine-3-carboxamide
CID 83405548

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyridine-3-carboxamide?
The IUPAC name of 2-fluoro-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyridine-3-carboxamide (CID 107358475) is 2-fluoro-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-fluoro-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyridine-3-carboxamide?
The canonical SMILES for 2-fluoro-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyridine-3-carboxamide is CC(C)NC(=O)CNC(=O)c1cccnc1F.
What is the InChIKey of 2-fluoro-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyridine-3-carboxamide?
The InChIKey is OQJDFBJVWJVTDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN3O2/c1-7(2)15-9(16)6-14-11(17)8-4-3-5-13-10(8)12/h3-5,7H,6H2,1-2H3,(H,14,17)(H,15,16).
What are the key properties of 2-fluoro-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyridine-3-carboxamide?
2-fluoro-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyridine-3-carboxamide has a molecular weight of 239.25 g/mol, XLogP of 0.48, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 107358475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).