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

C13H16F3N3O2 — CID 103762966

IUPAC2-oxo-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1H-pyridine-4-carboxamide
SMILESO=C(NCC1CCN(CC(F)(F)F)C1)c1cc[nH]c(=O)c1
InChIInChI=1S/C13H16F3N3O2/c14-13(15,16)8-19-4-2-9(7-19)6-18-12(21)10-1-3-17-11(20)5-10/h1,3,5,9H,2,4,6-8H2,(H,17,20)(H,18,21)
InChIKeyMWNIABJSIWSPJZ-UHFFFAOYSA-N
MW303.28 g/mol
LogP0.99
Rot. Bonds4

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

2-oxo-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1H-pyridine-4-carboxamide (PubChem CID 103762966) has the molecular formula C13H16F3N3O2 and a molecular weight of 303.28 g/mol. Its IUPAC name is 2-oxo-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1H-pyridine-4-carboxamide.

Molecular Properties

Compound Name2-oxo-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1H-pyridine-4-carboxamide
PubChem CID103762966
Molecular FormulaC13H16F3N3O2
Molecular Weight303.28 g/mol
Exact Mass303.12
IUPAC Name2-oxo-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1H-pyridine-4-carboxamide
SMILESO=C(NCC1CCN(CC(F)(F)F)C1)c1cc[nH]c(=O)c1
InChIInChI=1S/C13H16F3N3O2/c14-13(15,16)8-19-4-2-9(7-19)6-18-12(21)10-1-3-17-11(20)5-10/h1,3,5,9H,2,4,6-8H2,(H,17,20)(H,18,21)
InChIKeyMWNIABJSIWSPJZ-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

2-oxo-N-[[(2R)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]methyl]-1H-pyridine-4-carboxamide
CID 164636667
(3S,4S)-N-(1,4-dimethyl-6-oxopyridin-3-yl)-4-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 120936993
5-(3,3-difluoropyrrolidine-1-carbonyl)-1H-pyridin-2-one
CID 122269141
N-(1,4-dimethyl-6-oxo-3-pyridinyl)formamide;3-(trifluoromethyl)pyrrolidine
CID 153398096
4-[(2-Methylbutylamino)methyl]-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
CID 176890381
1-methyl-2-oxo-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide
CID 37954449
5-[3,3-bis(trifluoromethyl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one
CID 56791913
3-[3,3-bis(trifluoromethyl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one
CID 56791936
N-(1-ethyl-6-oxo-3-pyridinyl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 60552292
6-oxo-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1H-pyridine-3-carboxamide
CID 61244305
1-(Pyrrolidin-3-ylmethyl)-5-(trifluoromethyl)pyridin-2-one
CID 63280296
5-[3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]pyrrolidine-1-carbonyl]-1H-pyridin-2-one
CID 71980846

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1H-pyridine-4-carboxamide?
The IUPAC name of 2-oxo-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1H-pyridine-4-carboxamide (CID 103762966) is 2-oxo-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1H-pyridine-4-carboxamide.
What is the SMILES notation for 2-oxo-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1H-pyridine-4-carboxamide?
The canonical SMILES for 2-oxo-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1H-pyridine-4-carboxamide is O=C(NCC1CCN(CC(F)(F)F)C1)c1cc[nH]c(=O)c1.
What is the InChIKey of 2-oxo-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1H-pyridine-4-carboxamide?
The InChIKey is MWNIABJSIWSPJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N3O2/c14-13(15,16)8-19-4-2-9(7-19)6-18-12(21)10-1-3-17-11(20)5-10/h1,3,5,9H,2,4,6-8H2,(H,17,20)(H,18,21).
What are the key properties of 2-oxo-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1H-pyridine-4-carboxamide?
2-oxo-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1H-pyridine-4-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 2-oxo-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1H-pyridine-4-carboxamide is sourced from PubChem (CID 103762966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).