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

C13H16F3N3O2 — CID 164636667

IUPAC2-oxo-N-[[(2R)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]methyl]-1H-pyridine-4-carboxamide
SMILESO=C(NC[C@H]1CCCN1CC(F)(F)F)c1cc[nH]c(=O)c1
InChIInChI=1S/C13H16F3N3O2/c14-13(15,16)8-19-5-1-2-10(19)7-18-12(21)9-3-4-17-11(20)6-9/h3-4,6,10H,1-2,5,7-8H2,(H,17,20)(H,18,21)/t10-/m1/s1
InChIKeyYKMYVMIXJPBYAD-SNVBAGLBSA-N
MW303.28 g/mol
LogP1.13
Rot. Bonds4

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

2-oxo-N-[[(2R)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]methyl]-1H-pyridine-4-carboxamide (PubChem CID 164636667) has the molecular formula C13H16F3N3O2 and a molecular weight of 303.28 g/mol. Its IUPAC name is 2-oxo-N-[[(2R)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]methyl]-1H-pyridine-4-carboxamide.

Molecular Properties

Compound Name2-oxo-N-[[(2R)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]methyl]-1H-pyridine-4-carboxamide
PubChem CID164636667
Molecular FormulaC13H16F3N3O2
Molecular Weight303.28 g/mol
Exact Mass303.12
IUPAC Name2-oxo-N-[[(2R)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]methyl]-1H-pyridine-4-carboxamide
SMILESO=C(NC[C@H]1CCCN1CC(F)(F)F)c1cc[nH]c(=O)c1
InChIInChI=1S/C13H16F3N3O2/c14-13(15,16)8-19-5-1-2-10(19)7-18-12(21)9-3-4-17-11(20)6-9/h3-4,6,10H,1-2,5,7-8H2,(H,17,20)(H,18,21)/t10-/m1/s1
InChIKeyYKMYVMIXJPBYAD-SNVBAGLBSA-N
XLogP1.13
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 ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-[[(2R)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]methyl]-1H-pyridine-4-carboxamide?
The IUPAC name of 2-oxo-N-[[(2R)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]methyl]-1H-pyridine-4-carboxamide (CID 164636667) is 2-oxo-N-[[(2R)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]methyl]-1H-pyridine-4-carboxamide.
What is the SMILES notation for 2-oxo-N-[[(2R)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]methyl]-1H-pyridine-4-carboxamide?
The canonical SMILES for 2-oxo-N-[[(2R)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]methyl]-1H-pyridine-4-carboxamide is O=C(NC[C@H]1CCCN1CC(F)(F)F)c1cc[nH]c(=O)c1.
What is the InChIKey of 2-oxo-N-[[(2R)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]methyl]-1H-pyridine-4-carboxamide?
The InChIKey is YKMYVMIXJPBYAD-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H16F3N3O2/c14-13(15,16)8-19-5-1-2-10(19)7-18-12(21)9-3-4-17-11(20)6-9/h3-4,6,10H,1-2,5,7-8H2,(H,17,20)(H,18,21)/t10-/m1/s1.
What are the key properties of 2-oxo-N-[[(2R)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]methyl]-1H-pyridine-4-carboxamide?
2-oxo-N-[[(2R)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]methyl]-1H-pyridine-4-carboxamide has a molecular weight of 303.28 g/mol, XLogP of 1.13, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-[[(2R)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]methyl]-1H-pyridine-4-carboxamide is sourced from PubChem (CID 164636667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).