2-fluoro-N-[2-(methylamino)-2-oxoethyl]pyridine-4-carboxamide

C9H10FN3O2 — CID 61293980

IUPAC2-fluoro-N-[2-(methylamino)-2-oxoethyl]pyridine-4-carboxamide
SMILESCNC(=O)CNC(=O)c1ccnc(F)c1
InChIInChI=1S/C9H10FN3O2/c1-11-8(14)5-13-9(15)6-2-3-12-7(10)4-6/h2-4H,5H2,1H3,(H,11,14)(H,13,15)
InChIKeyVKCZXKTYLLLCNI-UHFFFAOYSA-N
MW211.20 g/mol
LogP-0.30
Rot. Bonds3

About 2-fluoro-N-[2-(methylamino)-2-oxoethyl]pyridine-4-carboxamide

2-fluoro-N-[2-(methylamino)-2-oxoethyl]pyridine-4-carboxamide (PubChem CID 61293980) has the molecular formula C9H10FN3O2 and a molecular weight of 211.20 g/mol. Its IUPAC name is 2-fluoro-N-[2-(methylamino)-2-oxoethyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-fluoro-N-[2-(methylamino)-2-oxoethyl]pyridine-4-carboxamide
PubChem CID61293980
Molecular FormulaC9H10FN3O2
Molecular Weight211.20 g/mol
Exact Mass211.08
IUPAC Name2-fluoro-N-[2-(methylamino)-2-oxoethyl]pyridine-4-carboxamide
SMILESCNC(=O)CNC(=O)c1ccnc(F)c1
InChIInChI=1S/C9H10FN3O2/c1-11-8(14)5-13-9(15)6-2-3-12-7(10)4-6/h2-4H,5H2,1H3,(H,11,14)(H,13,15)
InChIKeyVKCZXKTYLLLCNI-UHFFFAOYSA-N
XLogP-0.30
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.20
LogP ≤ 5-0.30
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

methyl 2-[(2-fluoropyridine-4-carbonyl)amino]acetate
CID 61292675
N-[2-(methylamino)-2-oxoethyl]pyridine-4-carboxamide
CID 58188881
2-fluoro-N-(2-hydroxy-2-methylpropyl)pyridine-4-carboxamide
CID 65106911
2-fluoro-N-(4-methylpentyl)pyridine-4-carboxamide
CID 61293855
N-[2-(dimethylamino)ethyl]-2-fluoropyridine-4-carboxamide
CID 61294521
2-fluoro-N-(3-hydroxy-2-methylpropyl)pyridine-4-carboxamide
CID 65036628
2-fluoro-N-[3-oxo-3-(propan-2-ylamino)propyl]pyridine-4-carboxamide
CID 113228858
N-[3-(diethylamino)-3-oxopropyl]-2-fluoropyridine-4-carboxamide
CID 61292893
2-fluoro-N-(4-methylsulfanylbutyl)pyridine-4-carboxamide
CID 115635789
N-(3-ethoxypropyl)-2-fluoropyridine-4-carboxamide
CID 61292678
2-fluoro-N-[2-[methyl(propan-2-yl)amino]ethyl]pyridine-4-carboxamide
CID 62641304
2-fluoro-N-(2-hydroxy-4,4-dimethylpentyl)pyridine-4-carboxamide
CID 113237946

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[2-(methylamino)-2-oxoethyl]pyridine-4-carboxamide?
The IUPAC name of 2-fluoro-N-[2-(methylamino)-2-oxoethyl]pyridine-4-carboxamide (CID 61293980) is 2-fluoro-N-[2-(methylamino)-2-oxoethyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-fluoro-N-[2-(methylamino)-2-oxoethyl]pyridine-4-carboxamide?
The canonical SMILES for 2-fluoro-N-[2-(methylamino)-2-oxoethyl]pyridine-4-carboxamide is CNC(=O)CNC(=O)c1ccnc(F)c1.
What is the InChIKey of 2-fluoro-N-[2-(methylamino)-2-oxoethyl]pyridine-4-carboxamide?
The InChIKey is VKCZXKTYLLLCNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FN3O2/c1-11-8(14)5-13-9(15)6-2-3-12-7(10)4-6/h2-4H,5H2,1H3,(H,11,14)(H,13,15).
What are the key properties of 2-fluoro-N-[2-(methylamino)-2-oxoethyl]pyridine-4-carboxamide?
2-fluoro-N-[2-(methylamino)-2-oxoethyl]pyridine-4-carboxamide has a molecular weight of 211.20 g/mol, XLogP of -0.30, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[2-(methylamino)-2-oxoethyl]pyridine-4-carboxamide is sourced from PubChem (CID 61293980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).