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

C13H16F3N3O2 — CID 103337312

IUPAC4-oxo-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1H-pyridine-3-carboxamide
SMILESO=C(NCC1CCN(CC(F)(F)F)C1)c1c[nH]ccc1=O
InChIInChI=1S/C13H16F3N3O2/c14-13(15,16)8-19-4-2-9(7-19)5-18-12(21)10-6-17-3-1-11(10)20/h1,3,6,9H,2,4-5,7-8H2,(H,17,20)(H,18,21)
InChIKeyJANSGOFUVMRWTQ-UHFFFAOYSA-N
MW303.28 g/mol
LogP0.99
Rot. Bonds4

About 4-oxo-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1H-pyridine-3-carboxamide

4-oxo-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1H-pyridine-3-carboxamide (PubChem CID 103337312) has the molecular formula C13H16F3N3O2 and a molecular weight of 303.28 g/mol. Its IUPAC name is 4-oxo-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name4-oxo-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1H-pyridine-3-carboxamide
PubChem CID103337312
Molecular FormulaC13H16F3N3O2
Molecular Weight303.28 g/mol
Exact Mass303.12
IUPAC Name4-oxo-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1H-pyridine-3-carboxamide
SMILESO=C(NCC1CCN(CC(F)(F)F)C1)c1c[nH]ccc1=O
InChIInChI=1S/C13H16F3N3O2/c14-13(15,16)8-19-4-2-9(7-19)5-18-12(21)10-6-17-3-1-11(10)20/h1,3,6,9H,2,4-5,7-8H2,(H,17,20)(H,18,21)
InChIKeyJANSGOFUVMRWTQ-UHFFFAOYSA-N
XLogP0.99
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.28
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3,3-difluoropyrrolidine-1-carbonyl)-1H-pyridin-4-one
CID 164806286
3-(3,3-difluoropyrrolidin-1-ium-1-carbonyl)-1H-pyridin-4-one
CID 164806287
4-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-carboxamide
CID 103337060
N-butyl-4-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-carboxamide
CID 103337345
N-methyl-4-oxo-N-(3,3,3-trifluoropropyl)-1H-pyridine-3-carboxamide
CID 103337351
N-(2,2-difluoroethyl)-4-oxo-1H-pyridine-3-carboxamide
CID 103337577
N-methyl-4-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-carboxamide
CID 103386582
N-(3-amino-2,2-difluoropropyl)-4-oxo-1H-pyridine-3-carboxamide
CID 108100652
4-oxo-N-propyl-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-carboxamide
CID 108100955
N-(2-methylpropyl)-4-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-carboxamide
CID 108100963
4-oxo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-carboxamide
CID 108100966
4-oxo-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-carboxamide
CID 108100976

Frequently Asked Questions

What is the IUPAC name of 4-oxo-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1H-pyridine-3-carboxamide?
The IUPAC name of 4-oxo-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1H-pyridine-3-carboxamide (CID 103337312) is 4-oxo-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1H-pyridine-3-carboxamide.
What is the SMILES notation for 4-oxo-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1H-pyridine-3-carboxamide?
The canonical SMILES for 4-oxo-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1H-pyridine-3-carboxamide is O=C(NCC1CCN(CC(F)(F)F)C1)c1c[nH]ccc1=O.
What is the InChIKey of 4-oxo-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1H-pyridine-3-carboxamide?
The InChIKey is JANSGOFUVMRWTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N3O2/c14-13(15,16)8-19-4-2-9(7-19)5-18-12(21)10-6-17-3-1-11(10)20/h1,3,6,9H,2,4-5,7-8H2,(H,17,20)(H,18,21).
What are the key properties of 4-oxo-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1H-pyridine-3-carboxamide?
4-oxo-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1H-pyridine-3-carboxamide has a molecular weight of 303.28 g/mol, XLogP of 0.99, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1H-pyridine-3-carboxamide is sourced from PubChem (CID 103337312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).