N-(4-amino-4-oxobutan-2-yl)-6-fluoropyridine-2-carboxamide

C10H12FN3O2 — CID 115869084

IUPACN-(4-amino-4-oxobutan-2-yl)-6-fluoropyridine-2-carboxamide
SMILESCC(CC(N)=O)NC(=O)c1cccc(F)n1
InChIInChI=1S/C10H12FN3O2/c1-6(5-9(12)15)13-10(16)7-3-2-4-8(11)14-7/h2-4,6H,5H2,1H3,(H2,12,15)(H,13,16)
InChIKeyASBYLCJRIFYCSH-UHFFFAOYSA-N
MW225.22 g/mol
LogP0.21
Rot. Bonds4

About N-(4-amino-4-oxobutan-2-yl)-6-fluoropyridine-2-carboxamide

N-(4-amino-4-oxobutan-2-yl)-6-fluoropyridine-2-carboxamide (PubChem CID 115869084) has the molecular formula C10H12FN3O2 and a molecular weight of 225.22 g/mol. Its IUPAC name is N-(4-amino-4-oxobutan-2-yl)-6-fluoropyridine-2-carboxamide.

Molecular Properties

Compound NameN-(4-amino-4-oxobutan-2-yl)-6-fluoropyridine-2-carboxamide
PubChem CID115869084
Molecular FormulaC10H12FN3O2
Molecular Weight225.22 g/mol
Exact Mass225.09
IUPAC NameN-(4-amino-4-oxobutan-2-yl)-6-fluoropyridine-2-carboxamide
SMILESCC(CC(N)=O)NC(=O)c1cccc(F)n1
InChIInChI=1S/C10H12FN3O2/c1-6(5-9(12)15)13-10(16)7-3-2-4-8(11)14-7/h2-4,6H,5H2,1H3,(H2,12,15)(H,13,16)
InChIKeyASBYLCJRIFYCSH-UHFFFAOYSA-N
XLogP0.21
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.22
LogP ≤ 50.21
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-[(6-fluoropyridine-2-carbonyl)amino]propanoate
CID 112703953
6-fluoro-N-pent-4-yn-2-ylpyridine-2-carboxamide
CID 115869130
(2S)-2-[(6-fluoropyridine-2-carbonyl)amino]butanedioic acid
CID 115496524
N-(3-amino-2-hydroxy-3-oxopropyl)-6-fluoropyridine-2-carboxamide
CID 106166087
N-(4-amino-4-oxobutan-2-yl)-6-fluoropyridine-3-carboxamide
CID 115674679
6-fluoro-N-(3-methyl-2-propan-2-ylbutyl)pyridine-2-carboxamide
CID 102904926
N-(4-amino-4-oxobutan-2-yl)benzamide
CID 47112685
6-fluoro-N-[1-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 115497979
4-amino-N-(4-amino-4-oxobutan-2-yl)quinoline-2-carboxamide
CID 115751990
6-fluoro-N-(2,2,3-trimethylbutyl)pyridine-2-carboxamide
CID 102612083
2-[(6-fluoropyridine-2-carbonyl)amino]-4-hydroxybutanoic acid
CID 115496379
N-(4-amino-4-oxobutan-2-yl)-2-hydroxy-3-methylbenzamide
CID 115664821

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-4-oxobutan-2-yl)-6-fluoropyridine-2-carboxamide?
The IUPAC name of N-(4-amino-4-oxobutan-2-yl)-6-fluoropyridine-2-carboxamide (CID 115869084) is N-(4-amino-4-oxobutan-2-yl)-6-fluoropyridine-2-carboxamide.
What is the SMILES notation for N-(4-amino-4-oxobutan-2-yl)-6-fluoropyridine-2-carboxamide?
The canonical SMILES for N-(4-amino-4-oxobutan-2-yl)-6-fluoropyridine-2-carboxamide is CC(CC(N)=O)NC(=O)c1cccc(F)n1.
What is the InChIKey of N-(4-amino-4-oxobutan-2-yl)-6-fluoropyridine-2-carboxamide?
The InChIKey is ASBYLCJRIFYCSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FN3O2/c1-6(5-9(12)15)13-10(16)7-3-2-4-8(11)14-7/h2-4,6H,5H2,1H3,(H2,12,15)(H,13,16).
What are the key properties of N-(4-amino-4-oxobutan-2-yl)-6-fluoropyridine-2-carboxamide?
N-(4-amino-4-oxobutan-2-yl)-6-fluoropyridine-2-carboxamide has a molecular weight of 225.22 g/mol, XLogP of 0.21, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-4-oxobutan-2-yl)-6-fluoropyridine-2-carboxamide is sourced from PubChem (CID 115869084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).