N-(1-cyclopropylethyl)-2,3-difluoro-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide

C13H13F5N2O — CID 105380482

IUPACN-(1-cyclopropylethyl)-2,3-difluoro-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide
SMILESCC(C1CC1)N(CC(F)(F)F)C(=O)c1ccnc(F)c1F
InChIInChI=1S/C13H13F5N2O/c1-7(8-2-3-8)20(6-13(16,17)18)12(21)9-4-5-19-11(15)10(9)14/h4-5,7-8H,2-3,6H2,1H3
InChIKeyRNYWKNSFNIGYHQ-UHFFFAOYSA-N
MW308.25 g/mol
LogP3.16
Rot. Bonds4

About N-(1-cyclopropylethyl)-2,3-difluoro-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide

N-(1-cyclopropylethyl)-2,3-difluoro-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide (PubChem CID 105380482) has the molecular formula C13H13F5N2O and a molecular weight of 308.25 g/mol. Its IUPAC name is N-(1-cyclopropylethyl)-2,3-difluoro-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(1-cyclopropylethyl)-2,3-difluoro-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide
PubChem CID105380482
Molecular FormulaC13H13F5N2O
Molecular Weight308.25 g/mol
Exact Mass308.09
IUPAC NameN-(1-cyclopropylethyl)-2,3-difluoro-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide
SMILESCC(C1CC1)N(CC(F)(F)F)C(=O)c1ccnc(F)c1F
InChIInChI=1S/C13H13F5N2O/c1-7(8-2-3-8)20(6-13(16,17)18)12(21)9-4-5-19-11(15)10(9)14/h4-5,7-8H,2-3,6H2,1H3
InChIKeyRNYWKNSFNIGYHQ-UHFFFAOYSA-N
XLogP3.16
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.25
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(1R)-1-cyclopropylethyl]-6-methyl-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
CID 95280380
2-bromo-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)furan-3-carboxamide
CID 106853406
N-(1-cyclopropylethyl)-4-fluoro-N-(2,2,2-trifluoroethyl)benzamide
CID 60715950
2-bromo-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 60629066
2-amino-N-(1-cyclopropylethyl)-4-fluoro-N-(2,2,2-trifluoroethyl)benzamide
CID 63110222
3,6-dichloro-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide
CID 60716732
2-amino-4-chloro-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 61106833
3,5-diamino-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 61106090
3-amino-N-(1-cyclopropylethyl)-4-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 60939378
N-(1-cyclopropylethyl)-2,3-difluoropyridine-4-carboxamide
CID 105380375
N-(1-cyclopropylethyl)-6-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-carboxamide
CID 60716731
3-bromo-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 60629074

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylethyl)-2,3-difluoro-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide?
The IUPAC name of N-(1-cyclopropylethyl)-2,3-difluoro-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide (CID 105380482) is N-(1-cyclopropylethyl)-2,3-difluoro-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide.
What is the SMILES notation for N-(1-cyclopropylethyl)-2,3-difluoro-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide?
The canonical SMILES for N-(1-cyclopropylethyl)-2,3-difluoro-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide is CC(C1CC1)N(CC(F)(F)F)C(=O)c1ccnc(F)c1F.
What is the InChIKey of N-(1-cyclopropylethyl)-2,3-difluoro-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide?
The InChIKey is RNYWKNSFNIGYHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F5N2O/c1-7(8-2-3-8)20(6-13(16,17)18)12(21)9-4-5-19-11(15)10(9)14/h4-5,7-8H,2-3,6H2,1H3.
What are the key properties of N-(1-cyclopropylethyl)-2,3-difluoro-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide?
N-(1-cyclopropylethyl)-2,3-difluoro-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide has a molecular weight of 308.25 g/mol, XLogP of 3.16, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylethyl)-2,3-difluoro-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide is sourced from PubChem (CID 105380482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).