N-(1-cyclobutylethyl)-6-fluoropyridine-3-carboxamide

C12H15FN2O — CID 115769021

IUPACN-(1-cyclobutylethyl)-6-fluoropyridine-3-carboxamide
SMILESCC(NC(=O)c1ccc(F)nc1)C1CCC1
InChIInChI=1S/C12H15FN2O/c1-8(9-3-2-4-9)15-12(16)10-5-6-11(13)14-7-10/h5-9H,2-4H2,1H3,(H,15,16)
InChIKeyUXGARFFZRGOLAN-UHFFFAOYSA-N
MW222.26 g/mol
LogP2.14
Rot. Bonds3

About N-(1-cyclobutylethyl)-6-fluoropyridine-3-carboxamide

N-(1-cyclobutylethyl)-6-fluoropyridine-3-carboxamide (PubChem CID 115769021) has the molecular formula C12H15FN2O and a molecular weight of 222.26 g/mol. Its IUPAC name is N-(1-cyclobutylethyl)-6-fluoropyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1-cyclobutylethyl)-6-fluoropyridine-3-carboxamide
PubChem CID115769021
Molecular FormulaC12H15FN2O
Molecular Weight222.26 g/mol
Exact Mass222.12
IUPAC NameN-(1-cyclobutylethyl)-6-fluoropyridine-3-carboxamide
SMILESCC(NC(=O)c1ccc(F)nc1)C1CCC1
InChIInChI=1S/C12H15FN2O/c1-8(9-3-2-4-9)15-12(16)10-5-6-11(13)14-7-10/h5-9H,2-4H2,1H3,(H,15,16)
InChIKeyUXGARFFZRGOLAN-UHFFFAOYSA-N
XLogP2.14
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.26
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

6-fluoro-N-[1-(oxolan-2-yl)ethyl]pyridine-3-carboxamide
CID 63971995
N-(1-cyclohexylethyl)-2-fluoropyridine-4-carboxamide
CID 55069124
5-N-[(1S)-1-cyclopropylethyl]pyridine-2,5-dicarboxamide
CID 164519355
N-[(1R)-1-cyclobutylethyl]-6-[(3-fluorophenyl)methoxy]pyridine-3-carboxamide
CID 58368103
4-bromo-N-(1-cyclobutylethyl)-3-fluorobenzamide
CID 115769071
N-[(1S)-1-cyclohexylethyl]-4-[4-[[(1S)-1-cyclohexylethyl]carbamoyl]phenyl]benzamide
CID 132596984
(2S)-2-[(6-fluoropyridine-3-carbonyl)amino]-3-methylbutanoic acid
CID 103804178
methyl 2-[(6-fluoropyridine-3-carbonyl)amino]propanoate
CID 63977637
6-chloro-N-[1-(oxan-4-yl)ethyl]pyridine-3-carboxamide
CID 103769200
N-(1-cyclohexylethyl)-6-[(3-fluorophenoxy)methyl]pyridine-3-carboxamide
CID 58533707
N-(1-cyclobutylethyl)-3-fluoropyridine-4-carboxamide
CID 115769013
4-amino-N-[(1S)-1-cyclopentylethyl]-3-fluorobenzamide
CID 81389087

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclobutylethyl)-6-fluoropyridine-3-carboxamide?
The IUPAC name of N-(1-cyclobutylethyl)-6-fluoropyridine-3-carboxamide (CID 115769021) is N-(1-cyclobutylethyl)-6-fluoropyridine-3-carboxamide.
What is the SMILES notation for N-(1-cyclobutylethyl)-6-fluoropyridine-3-carboxamide?
The canonical SMILES for N-(1-cyclobutylethyl)-6-fluoropyridine-3-carboxamide is CC(NC(=O)c1ccc(F)nc1)C1CCC1.
What is the InChIKey of N-(1-cyclobutylethyl)-6-fluoropyridine-3-carboxamide?
The InChIKey is UXGARFFZRGOLAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O/c1-8(9-3-2-4-9)15-12(16)10-5-6-11(13)14-7-10/h5-9H,2-4H2,1H3,(H,15,16).
What are the key properties of N-(1-cyclobutylethyl)-6-fluoropyridine-3-carboxamide?
N-(1-cyclobutylethyl)-6-fluoropyridine-3-carboxamide has a molecular weight of 222.26 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclobutylethyl)-6-fluoropyridine-3-carboxamide is sourced from PubChem (CID 115769021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).