N-(3,3-dimethylbutan-2-yl)-2,3-difluoropyridine-4-carboxamide

C12H16F2N2O — CID 91636239

IUPACN-(3,3-dimethylbutan-2-yl)-2,3-difluoropyridine-4-carboxamide
SMILESCC(NC(=O)c1ccnc(F)c1F)C(C)(C)C
InChIInChI=1S/C12H16F2N2O/c1-7(12(2,3)4)16-11(17)8-5-6-15-10(14)9(8)13/h5-7H,1-4H3,(H,16,17)
InChIKeyPBBATDZEGATSFY-UHFFFAOYSA-N
MW242.27 g/mol
LogP2.52
Rot. Bonds2

About N-(3,3-dimethylbutan-2-yl)-2,3-difluoropyridine-4-carboxamide

N-(3,3-dimethylbutan-2-yl)-2,3-difluoropyridine-4-carboxamide (PubChem CID 91636239) has the molecular formula C12H16F2N2O and a molecular weight of 242.27 g/mol. Its IUPAC name is N-(3,3-dimethylbutan-2-yl)-2,3-difluoropyridine-4-carboxamide.

Molecular Properties

Compound NameN-(3,3-dimethylbutan-2-yl)-2,3-difluoropyridine-4-carboxamide
PubChem CID91636239
Molecular FormulaC12H16F2N2O
Molecular Weight242.27 g/mol
Exact Mass242.12
IUPAC NameN-(3,3-dimethylbutan-2-yl)-2,3-difluoropyridine-4-carboxamide
SMILESCC(NC(=O)c1ccnc(F)c1F)C(C)(C)C
InChIInChI=1S/C12H16F2N2O/c1-7(12(2,3)4)16-11(17)8-5-6-15-10(14)9(8)13/h5-7H,1-4H3,(H,16,17)
InChIKeyPBBATDZEGATSFY-UHFFFAOYSA-N
XLogP2.52
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 52.52
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-(3,3-dimethylbutan-2-yl)-3-fluoro-2-hydrazinylpyridine-4-carboxamide
CID 105388598
tert-butyl (2S)-2-[(2,3-difluoropyridine-4-carbonyl)amino]propanoate
CID 107470506
N-(1-cyclopropylethyl)-2,3-difluoropyridine-4-carboxamide
CID 105380375
2,3-difluoro-N-hexan-2-ylpyridine-4-carboxamide
CID 105381129
N-(1,3-dihydroxypropan-2-yl)-2,3-difluoropyridine-4-carboxamide
CID 105381320
N-(1-cyclopentylethyl)-2,3-difluoropyridine-4-carboxamide
CID 105381268
2,3-difluoro-N-[1-(2-fluorophenyl)ethyl]pyridine-4-carboxamide
CID 105380534
2,3-difluoro-N-(2-methylbut-3-yn-2-yl)pyridine-4-carboxamide
CID 105381262
N-(1-cyanopropyl)-2,3-difluoropyridine-4-carboxamide
CID 103337419
N-(3,3-dimethylbutan-2-yl)-2-fluorobenzamide
CID 3713730
2,3-difluoro-N-(3-hydroxybutyl)pyridine-4-carboxamide
CID 105381305
(2S)-2-[(2,3-difluoropyridine-4-carbonyl)amino]hexanoic acid
CID 114037268

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylbutan-2-yl)-2,3-difluoropyridine-4-carboxamide?
The IUPAC name of N-(3,3-dimethylbutan-2-yl)-2,3-difluoropyridine-4-carboxamide (CID 91636239) is N-(3,3-dimethylbutan-2-yl)-2,3-difluoropyridine-4-carboxamide.
What is the SMILES notation for N-(3,3-dimethylbutan-2-yl)-2,3-difluoropyridine-4-carboxamide?
The canonical SMILES for N-(3,3-dimethylbutan-2-yl)-2,3-difluoropyridine-4-carboxamide is CC(NC(=O)c1ccnc(F)c1F)C(C)(C)C.
What is the InChIKey of N-(3,3-dimethylbutan-2-yl)-2,3-difluoropyridine-4-carboxamide?
The InChIKey is PBBATDZEGATSFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2O/c1-7(12(2,3)4)16-11(17)8-5-6-15-10(14)9(8)13/h5-7H,1-4H3,(H,16,17).
What are the key properties of N-(3,3-dimethylbutan-2-yl)-2,3-difluoropyridine-4-carboxamide?
N-(3,3-dimethylbutan-2-yl)-2,3-difluoropyridine-4-carboxamide has a molecular weight of 242.27 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylbutan-2-yl)-2,3-difluoropyridine-4-carboxamide is sourced from PubChem (CID 91636239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).