N-(2,2-difluoroethyl)-6-[(2S)-pyrrolidin-2-yl]pyridine-2-carboxamide

C12H15F2N3O — CID 125017412

IUPACN-(2,2-difluoroethyl)-6-[(2S)-pyrrolidin-2-yl]pyridine-2-carboxamide
SMILESO=C(NCC(F)F)c1cccc([C@@H]2CCCN2)n1
InChIInChI=1S/C12H15F2N3O/c13-11(14)7-16-12(18)10-4-1-3-9(17-10)8-5-2-6-15-8/h1,3-4,8,11,15H,2,5-7H2,(H,16,18)/t8-/m0/s1
InChIKeyXHFXCPLZPXTKJG-QMMMGPOBSA-N
MW255.27 g/mol
LogP1.50
Rot. Bonds4

About N-(2,2-difluoroethyl)-6-[(2S)-pyrrolidin-2-yl]pyridine-2-carboxamide

N-(2,2-difluoroethyl)-6-[(2S)-pyrrolidin-2-yl]pyridine-2-carboxamide (PubChem CID 125017412) has the molecular formula C12H15F2N3O and a molecular weight of 255.27 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-6-[(2S)-pyrrolidin-2-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-6-[(2S)-pyrrolidin-2-yl]pyridine-2-carboxamide
PubChem CID125017412
Molecular FormulaC12H15F2N3O
Molecular Weight255.27 g/mol
Exact Mass255.12
IUPAC NameN-(2,2-difluoroethyl)-6-[(2S)-pyrrolidin-2-yl]pyridine-2-carboxamide
SMILESO=C(NCC(F)F)c1cccc([C@@H]2CCCN2)n1
InChIInChI=1S/C12H15F2N3O/c13-11(14)7-16-12(18)10-4-1-3-9(17-10)8-5-2-6-15-8/h1,3-4,8,11,15H,2,5-7H2,(H,16,18)/t8-/m0/s1
InChIKeyXHFXCPLZPXTKJG-QMMMGPOBSA-N
XLogP1.50
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-6-[(2S)-pyrrolidin-2-yl]pyridine-2-carboxamide?
The IUPAC name of N-(2,2-difluoroethyl)-6-[(2S)-pyrrolidin-2-yl]pyridine-2-carboxamide (CID 125017412) is N-(2,2-difluoroethyl)-6-[(2S)-pyrrolidin-2-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-6-[(2S)-pyrrolidin-2-yl]pyridine-2-carboxamide?
The canonical SMILES for N-(2,2-difluoroethyl)-6-[(2S)-pyrrolidin-2-yl]pyridine-2-carboxamide is O=C(NCC(F)F)c1cccc([C@@H]2CCCN2)n1.
What is the InChIKey of N-(2,2-difluoroethyl)-6-[(2S)-pyrrolidin-2-yl]pyridine-2-carboxamide?
The InChIKey is XHFXCPLZPXTKJG-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H15F2N3O/c13-11(14)7-16-12(18)10-4-1-3-9(17-10)8-5-2-6-15-8/h1,3-4,8,11,15H,2,5-7H2,(H,16,18)/t8-/m0/s1.
What are the key properties of N-(2,2-difluoroethyl)-6-[(2S)-pyrrolidin-2-yl]pyridine-2-carboxamide?
N-(2,2-difluoroethyl)-6-[(2S)-pyrrolidin-2-yl]pyridine-2-carboxamide has a molecular weight of 255.27 g/mol, XLogP of 1.50, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-6-[(2S)-pyrrolidin-2-yl]pyridine-2-carboxamide is sourced from PubChem (CID 125017412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).