N-(1-cyclopropylethyl)-2,3-difluoropyridine-4-carboxamide

C11H12F2N2O — CID 105380375

IUPACN-(1-cyclopropylethyl)-2,3-difluoropyridine-4-carboxamide
SMILESCC(NC(=O)c1ccnc(F)c1F)C1CC1
InChIInChI=1S/C11H12F2N2O/c1-6(7-2-3-7)15-11(16)8-4-5-14-10(13)9(8)12/h4-7H,2-3H2,1H3,(H,15,16)
InChIKeyGPSBAJZIFMLNAX-UHFFFAOYSA-N
MW226.23 g/mol
LogP1.89
Rot. Bonds3

About N-(1-cyclopropylethyl)-2,3-difluoropyridine-4-carboxamide

N-(1-cyclopropylethyl)-2,3-difluoropyridine-4-carboxamide (PubChem CID 105380375) has the molecular formula C11H12F2N2O and a molecular weight of 226.23 g/mol. Its IUPAC name is N-(1-cyclopropylethyl)-2,3-difluoropyridine-4-carboxamide.

Molecular Properties

Compound NameN-(1-cyclopropylethyl)-2,3-difluoropyridine-4-carboxamide
PubChem CID105380375
Molecular FormulaC11H12F2N2O
Molecular Weight226.23 g/mol
Exact Mass226.09
IUPAC NameN-(1-cyclopropylethyl)-2,3-difluoropyridine-4-carboxamide
SMILESCC(NC(=O)c1ccnc(F)c1F)C1CC1
InChIInChI=1S/C11H12F2N2O/c1-6(7-2-3-7)15-11(16)8-4-5-14-10(13)9(8)12/h4-7H,2-3H2,1H3,(H,15,16)
InChIKeyGPSBAJZIFMLNAX-UHFFFAOYSA-N
XLogP1.89
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 51.89
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-(1-cyclopentylethyl)-2,3-difluoropyridine-4-carboxamide
CID 105381268
2-amino-N-(1-cyclobutylethyl)-3-fluoropyridine-4-carboxamide
CID 105387526
N-(1-cyclopropylethyl)-2,3-difluorobenzamide
CID 62648544
N-(3,3-dimethylbutan-2-yl)-2,3-difluoropyridine-4-carboxamide
CID 91636239
N-(1-cyclohexylpropyl)-2,3-difluoropyridine-4-carboxamide
CID 105381145
N-(1-cyclobutylethyl)-3-fluoro-2-(propylamino)pyridine-4-carboxamide
CID 105387527
3-bromo-N-(1-cyclopropylethyl)-2-fluorobenzamide
CID 106544366
2,3-difluoro-N-hexan-2-ylpyridine-4-carboxamide
CID 105381129
3-fluoro-2-(methylamino)-N-[1-(oxolan-3-yl)ethyl]pyridine-4-carboxamide
CID 105387635
N-(1,3-dihydroxypropan-2-yl)-2,3-difluoropyridine-4-carboxamide
CID 105381320
2,3-difluoro-N-[1-(2-fluorophenyl)ethyl]pyridine-4-carboxamide
CID 105380534
N-(1-cyclobutylethyl)-3-fluoropyridine-4-carboxamide
CID 115769013

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylethyl)-2,3-difluoropyridine-4-carboxamide?
The IUPAC name of N-(1-cyclopropylethyl)-2,3-difluoropyridine-4-carboxamide (CID 105380375) is N-(1-cyclopropylethyl)-2,3-difluoropyridine-4-carboxamide.
What is the SMILES notation for N-(1-cyclopropylethyl)-2,3-difluoropyridine-4-carboxamide?
The canonical SMILES for N-(1-cyclopropylethyl)-2,3-difluoropyridine-4-carboxamide is CC(NC(=O)c1ccnc(F)c1F)C1CC1.
What is the InChIKey of N-(1-cyclopropylethyl)-2,3-difluoropyridine-4-carboxamide?
The InChIKey is GPSBAJZIFMLNAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2N2O/c1-6(7-2-3-7)15-11(16)8-4-5-14-10(13)9(8)12/h4-7H,2-3H2,1H3,(H,15,16).
What are the key properties of N-(1-cyclopropylethyl)-2,3-difluoropyridine-4-carboxamide?
N-(1-cyclopropylethyl)-2,3-difluoropyridine-4-carboxamide has a molecular weight of 226.23 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylethyl)-2,3-difluoropyridine-4-carboxamide is sourced from PubChem (CID 105380375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).