2-amino-N-(1-cyclobutylethyl)-3-fluoropyridine-4-carboxamide

C12H16FN3O — CID 105387526

IUPAC2-amino-N-(1-cyclobutylethyl)-3-fluoropyridine-4-carboxamide
SMILESCC(NC(=O)c1ccnc(N)c1F)C1CCC1
InChIInChI=1S/C12H16FN3O/c1-7(8-3-2-4-8)16-12(17)9-5-6-15-11(14)10(9)13/h5-8H,2-4H2,1H3,(H2,14,15)(H,16,17)
InChIKeyITJZQBAXYDDHMZ-UHFFFAOYSA-N
MW237.28 g/mol
LogP1.72
Rot. Bonds3

About 2-amino-N-(1-cyclobutylethyl)-3-fluoropyridine-4-carboxamide

2-amino-N-(1-cyclobutylethyl)-3-fluoropyridine-4-carboxamide (PubChem CID 105387526) has the molecular formula C12H16FN3O and a molecular weight of 237.28 g/mol. Its IUPAC name is 2-amino-N-(1-cyclobutylethyl)-3-fluoropyridine-4-carboxamide.

Molecular Properties

Compound Name2-amino-N-(1-cyclobutylethyl)-3-fluoropyridine-4-carboxamide
PubChem CID105387526
Molecular FormulaC12H16FN3O
Molecular Weight237.28 g/mol
Exact Mass237.13
IUPAC Name2-amino-N-(1-cyclobutylethyl)-3-fluoropyridine-4-carboxamide
SMILESCC(NC(=O)c1ccnc(N)c1F)C1CCC1
InChIInChI=1S/C12H16FN3O/c1-7(8-3-2-4-8)16-12(17)9-5-6-15-11(14)10(9)13/h5-8H,2-4H2,1H3,(H2,14,15)(H,16,17)
InChIKeyITJZQBAXYDDHMZ-UHFFFAOYSA-N
XLogP1.72
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.28
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-amino-N-(1-cyclobutylethyl)-3-fluoropyridine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1-cyclopentylethyl)-2,3-difluoropyridine-4-carboxamide
CID 105381268
N-(1-cyclopropylethyl)-2,3-difluoropyridine-4-carboxamide
CID 105380375
N-(1-cyclobutylethyl)-3-fluoro-2-(propylamino)pyridine-4-carboxamide
CID 105387527
2-amino-N-cyclooctyl-3-fluoropyridine-4-carboxamide
CID 105384104
N-(1-cyclobutylethyl)-3-fluoropyridine-4-carboxamide
CID 115769013
2-amino-N-(2,6-dimethylpiperidin-1-yl)-3-fluoropyridine-4-carboxamide
CID 105387166
2-amino-N-(3-ethylpentan-2-yl)-3-fluoropyridine-4-carboxamide
CID 105386392
2-amino-3-fluoro-N-hexan-2-ylpyridine-4-carboxamide
CID 105385959
N-(1-cyclopentylethyl)-2-fluoro-3-methylbenzamide
CID 80711780
2-amino-3-fluoro-N-heptan-2-ylpyridine-4-carboxamide
CID 105385875
2-amino-N-[(1S)-1-cyclopentylethyl]-5-fluorobenzamide
CID 81388369
2-amino-3-fluoro-N-(4-methylsulfinylbutan-2-yl)pyridine-4-carboxamide
CID 105387484

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1-cyclobutylethyl)-3-fluoropyridine-4-carboxamide?
The IUPAC name of 2-amino-N-(1-cyclobutylethyl)-3-fluoropyridine-4-carboxamide (CID 105387526) is 2-amino-N-(1-cyclobutylethyl)-3-fluoropyridine-4-carboxamide.
What is the SMILES notation for 2-amino-N-(1-cyclobutylethyl)-3-fluoropyridine-4-carboxamide?
The canonical SMILES for 2-amino-N-(1-cyclobutylethyl)-3-fluoropyridine-4-carboxamide is CC(NC(=O)c1ccnc(N)c1F)C1CCC1.
What is the InChIKey of 2-amino-N-(1-cyclobutylethyl)-3-fluoropyridine-4-carboxamide?
The InChIKey is ITJZQBAXYDDHMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN3O/c1-7(8-3-2-4-8)16-12(17)9-5-6-15-11(14)10(9)13/h5-8H,2-4H2,1H3,(H2,14,15)(H,16,17).
What are the key properties of 2-amino-N-(1-cyclobutylethyl)-3-fluoropyridine-4-carboxamide?
2-amino-N-(1-cyclobutylethyl)-3-fluoropyridine-4-carboxamide has a molecular weight of 237.28 g/mol, XLogP of 1.72, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(1-cyclobutylethyl)-3-fluoropyridine-4-carboxamide is sourced from PubChem (CID 105387526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).