N-(4-amino-4-oxobutan-2-yl)-6-fluoropyridine-3-carboxamide

C10H12FN3O2 — CID 115674679

IUPACN-(4-amino-4-oxobutan-2-yl)-6-fluoropyridine-3-carboxamide
SMILESCC(CC(N)=O)NC(=O)c1ccc(F)nc1
InChIInChI=1S/C10H12FN3O2/c1-6(4-9(12)15)14-10(16)7-2-3-8(11)13-5-7/h2-3,5-6H,4H2,1H3,(H2,12,15)(H,14,16)
InChIKeyJFQDATCMJSDUTN-UHFFFAOYSA-N
MW225.22 g/mol
LogP0.21
Rot. Bonds4

About N-(4-amino-4-oxobutan-2-yl)-6-fluoropyridine-3-carboxamide

N-(4-amino-4-oxobutan-2-yl)-6-fluoropyridine-3-carboxamide (PubChem CID 115674679) 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-3-carboxamide.

Molecular Properties

Compound NameN-(4-amino-4-oxobutan-2-yl)-6-fluoropyridine-3-carboxamide
PubChem CID115674679
Molecular FormulaC10H12FN3O2
Molecular Weight225.22 g/mol
Exact Mass225.09
IUPAC NameN-(4-amino-4-oxobutan-2-yl)-6-fluoropyridine-3-carboxamide
SMILESCC(CC(N)=O)NC(=O)c1ccc(F)nc1
InChIInChI=1S/C10H12FN3O2/c1-6(4-9(12)15)14-10(16)7-2-3-8(11)13-5-7/h2-3,5-6H,4H2,1H3,(H2,12,15)(H,14,16)
InChIKeyJFQDATCMJSDUTN-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

N-(4-amino-4-oxobutan-2-yl)-6-chloropyridine-3-carboxamide
CID 115664808
methyl 2-[(6-fluoropyridine-3-carbonyl)amino]propanoate
CID 63977637
N-(1-ethoxypropan-2-yl)-6-fluoropyridine-3-carboxamide
CID 63977834
3-[(6-fluoro-3-pyridinyl)amino]butanamide
CID 126988107
N-(4-amino-4-oxobutan-2-yl)-4-fluoro-3-methylbenzamide
CID 115649751
N-(4-amino-4-oxobutan-2-yl)-4-sulfanylbenzamide
CID 107035767
(2S)-2-[(6-fluoropyridine-3-carbonyl)amino]-3-methylbutanoic acid
CID 103804178
N-(4-amino-4-oxobutan-2-yl)benzamide
CID 47112685
6-fluoro-N-(1-hydroxy-4-methylpentan-2-yl)pyridine-3-carboxamide
CID 63977631
6-fluoro-N-(2-hydroxypropyl)pyridine-3-carboxamide
CID 63980450
N-(4-amino-4-oxobutan-2-yl)-6-fluoropyridine-2-carboxamide
CID 115869084
N-(3-amino-3-oxo-1-phenylpropyl)-6-fluoropyridine-3-carboxamide;3-hydroxy-N,6-dimethyl-4-oxoheptanamide
CID 142867269

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-4-oxobutan-2-yl)-6-fluoropyridine-3-carboxamide?
The IUPAC name of N-(4-amino-4-oxobutan-2-yl)-6-fluoropyridine-3-carboxamide (CID 115674679) is N-(4-amino-4-oxobutan-2-yl)-6-fluoropyridine-3-carboxamide.
What is the SMILES notation for N-(4-amino-4-oxobutan-2-yl)-6-fluoropyridine-3-carboxamide?
The canonical SMILES for N-(4-amino-4-oxobutan-2-yl)-6-fluoropyridine-3-carboxamide is CC(CC(N)=O)NC(=O)c1ccc(F)nc1.
What is the InChIKey of N-(4-amino-4-oxobutan-2-yl)-6-fluoropyridine-3-carboxamide?
The InChIKey is JFQDATCMJSDUTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FN3O2/c1-6(4-9(12)15)14-10(16)7-2-3-8(11)13-5-7/h2-3,5-6H,4H2,1H3,(H2,12,15)(H,14,16).
What are the key properties of N-(4-amino-4-oxobutan-2-yl)-6-fluoropyridine-3-carboxamide?
N-(4-amino-4-oxobutan-2-yl)-6-fluoropyridine-3-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-3-carboxamide is sourced from PubChem (CID 115674679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).