N-(2-butan-2-ylphenyl)-6-fluoropyridine-2-carboxamide

C16H17FN2O — CID 115497570

IUPACN-(2-butan-2-ylphenyl)-6-fluoropyridine-2-carboxamide
SMILESCCC(C)c1ccccc1NC(=O)c1cccc(F)n1
InChIInChI=1S/C16H17FN2O/c1-3-11(2)12-7-4-5-8-13(12)19-16(20)14-9-6-10-15(17)18-14/h4-11H,3H2,1-2H3,(H,19,20)
InChIKeyDLOKMNGZDNTEAJ-UHFFFAOYSA-N
MW272.32 g/mol
LogP3.99
Rot. Bonds4

About N-(2-butan-2-ylphenyl)-6-fluoropyridine-2-carboxamide

N-(2-butan-2-ylphenyl)-6-fluoropyridine-2-carboxamide (PubChem CID 115497570) has the molecular formula C16H17FN2O and a molecular weight of 272.32 g/mol. Its IUPAC name is N-(2-butan-2-ylphenyl)-6-fluoropyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2-butan-2-ylphenyl)-6-fluoropyridine-2-carboxamide
PubChem CID115497570
Molecular FormulaC16H17FN2O
Molecular Weight272.32 g/mol
Exact Mass272.13
IUPAC NameN-(2-butan-2-ylphenyl)-6-fluoropyridine-2-carboxamide
SMILESCCC(C)c1ccccc1NC(=O)c1cccc(F)n1
InChIInChI=1S/C16H17FN2O/c1-3-11(2)12-7-4-5-8-13(12)19-16(20)14-9-6-10-15(17)18-14/h4-11H,3H2,1-2H3,(H,19,20)
InChIKeyDLOKMNGZDNTEAJ-UHFFFAOYSA-N
XLogP3.99
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.32
LogP ≤ 53.99
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

N-(2-butan-2-ylphenyl)-2-fluoro-3-methylbenzamide
CID 80710438
N-[2-[(2R)-butan-2-yl]phenyl]benzamide
CID 849169
N-[2-[(2R)-butan-2-yl]phenyl]acetamide
CID 959734
N-(2-butan-2-ylphenyl)-2-chloro-4,5-difluorobenzamide
CID 4779890
N-[2-[(2S)-butan-2-yl]phenyl]-2-methylpropanamide
CID 959786
6-fluoro-N-(2-methyl-6-propan-2-ylphenyl)pyridine-2-carboxamide
CID 115496693
N-[2-[(2R)-butan-2-yl]phenyl]-3-iodobenzamide
CID 2670800
N-(2-butan-2-ylphenyl)-3-chloro-2-methylpropanamide
CID 55110758
2-N-(2-methylpropyl)-6-N-(2-propan-2-ylphenyl)pyridine-2,6-dicarboxamide
CID 109094481
N-[2-[(2R)-butan-2-yl]phenyl]furan-2-carboxamide
CID 959679
N-[2-[(2S)-butan-2-yl]phenyl]-2-(4-fluorophenyl)acetamide
CID 1122525
3-amino-N-[2-[(2S)-butan-2-yl]phenyl]-2-methylbenzamide
CID 97030400

Frequently Asked Questions

What is the IUPAC name of N-(2-butan-2-ylphenyl)-6-fluoropyridine-2-carboxamide?
The IUPAC name of N-(2-butan-2-ylphenyl)-6-fluoropyridine-2-carboxamide (CID 115497570) is N-(2-butan-2-ylphenyl)-6-fluoropyridine-2-carboxamide.
What is the SMILES notation for N-(2-butan-2-ylphenyl)-6-fluoropyridine-2-carboxamide?
The canonical SMILES for N-(2-butan-2-ylphenyl)-6-fluoropyridine-2-carboxamide is CCC(C)c1ccccc1NC(=O)c1cccc(F)n1.
What is the InChIKey of N-(2-butan-2-ylphenyl)-6-fluoropyridine-2-carboxamide?
The InChIKey is DLOKMNGZDNTEAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O/c1-3-11(2)12-7-4-5-8-13(12)19-16(20)14-9-6-10-15(17)18-14/h4-11H,3H2,1-2H3,(H,19,20).
What are the key properties of N-(2-butan-2-ylphenyl)-6-fluoropyridine-2-carboxamide?
N-(2-butan-2-ylphenyl)-6-fluoropyridine-2-carboxamide has a molecular weight of 272.32 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-butan-2-ylphenyl)-6-fluoropyridine-2-carboxamide is sourced from PubChem (CID 115497570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).