2-fluoro-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridine-3-carboxamide

C13H15F4N3O — CID 107358771

IUPAC2-fluoro-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridine-3-carboxamide
SMILESO=C(NCC1CCN(CC(F)(F)F)C1)c1cccnc1F
InChIInChI=1S/C13H15F4N3O/c14-11-10(2-1-4-18-11)12(21)19-6-9-3-5-20(7-9)8-13(15,16)17/h1-2,4,9H,3,5-8H2,(H,19,21)
InChIKeyRKUOAQDQYAUBBK-UHFFFAOYSA-N
MW305.27 g/mol
LogP1.83
Rot. Bonds4

About 2-fluoro-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridine-3-carboxamide

2-fluoro-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridine-3-carboxamide (PubChem CID 107358771) has the molecular formula C13H15F4N3O and a molecular weight of 305.27 g/mol. Its IUPAC name is 2-fluoro-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-fluoro-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridine-3-carboxamide
PubChem CID107358771
Molecular FormulaC13H15F4N3O
Molecular Weight305.27 g/mol
Exact Mass305.12
IUPAC Name2-fluoro-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridine-3-carboxamide
SMILESO=C(NCC1CCN(CC(F)(F)F)C1)c1cccnc1F
InChIInChI=1S/C13H15F4N3O/c14-11-10(2-1-4-18-11)12(21)19-6-9-3-5-20(7-9)8-13(15,16)17/h1-2,4,9H,3,5-8H2,(H,19,21)
InChIKeyRKUOAQDQYAUBBK-UHFFFAOYSA-N
XLogP1.83
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.27
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1H-benzimidazole-4-carboxamide
CID 139011822
4-chloro-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridine-3-carboxamide
CID 81229419
N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]benzamide
CID 61245229
3-chloro-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridine-4-carboxamide
CID 66484887
2-phenyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyrazole-3-carboxamide
CID 139006521
6-(dimethylamino)-N-[[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridine-3-carboxamide
CID 95591144
N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,3-thiazole-4-carboxamide
CID 63048022
2,3-dimethyl-N-[[1-(2,2,2-trifluoroethyl)piperidin-3-yl]methyl]benzamide
CID 122159096
4-methoxy-N-[[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]benzamide
CID 94815305
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-fluoropyridine-3-carboxamide
CID 107358520
1-[(3-fluorophenyl)methyl]-3-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]urea
CID 51084193
5-nitro-N-[[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]furan-2-carboxamide
CID 94797186

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridine-3-carboxamide?
The IUPAC name of 2-fluoro-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridine-3-carboxamide (CID 107358771) is 2-fluoro-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-fluoro-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridine-3-carboxamide?
The canonical SMILES for 2-fluoro-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridine-3-carboxamide is O=C(NCC1CCN(CC(F)(F)F)C1)c1cccnc1F.
What is the InChIKey of 2-fluoro-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridine-3-carboxamide?
The InChIKey is RKUOAQDQYAUBBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F4N3O/c14-11-10(2-1-4-18-11)12(21)19-6-9-3-5-20(7-9)8-13(15,16)17/h1-2,4,9H,3,5-8H2,(H,19,21).
What are the key properties of 2-fluoro-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridine-3-carboxamide?
2-fluoro-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridine-3-carboxamide has a molecular weight of 305.27 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 107358771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).