N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]pyrrolidine-3-carboxamide;hydrochloride

C11H13ClF3N3O2 — CID 119399152

IUPACN-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]pyrrolidine-3-carboxamide;hydrochloride
SMILESCl.O=C(Nc1cc(C(F)(F)F)c[nH]c1=O)C1CCNC1
InChIInChI=1S/C11H12F3N3O2.ClH/c12-11(13,14)7-3-8(10(19)16-5-7)17-9(18)6-1-2-15-4-6;/h3,5-6,15H,1-2,4H2,(H,16,19)(H,17,18);1H
InChIKeyRNXLTEHRAVOKFX-UHFFFAOYSA-N
MW311.69 g/mol
LogP1.36
Rot. Bonds2

About N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]pyrrolidine-3-carboxamide;hydrochloride

N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]pyrrolidine-3-carboxamide;hydrochloride (PubChem CID 119399152) has the molecular formula C11H13ClF3N3O2 and a molecular weight of 311.69 g/mol. Its IUPAC name is N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]pyrrolidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]pyrrolidine-3-carboxamide;hydrochloride
PubChem CID119399152
Molecular FormulaC11H13ClF3N3O2
Molecular Weight311.69 g/mol
Exact Mass311.06
IUPAC NameN-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]pyrrolidine-3-carboxamide;hydrochloride
SMILESCl.O=C(Nc1cc(C(F)(F)F)c[nH]c1=O)C1CCNC1
InChIInChI=1S/C11H12F3N3O2.ClH/c12-11(13,14)7-3-8(10(19)16-5-7)17-9(18)6-1-2-15-4-6;/h3,5-6,15H,1-2,4H2,(H,16,19)(H,17,18);1H
InChIKeyRNXLTEHRAVOKFX-UHFFFAOYSA-N
XLogP1.36
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.69
LogP ≤ 51.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]pyrrolidine-3-carboxamide;hydrochloride?
The IUPAC name of N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]pyrrolidine-3-carboxamide;hydrochloride (CID 119399152) is N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]pyrrolidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]pyrrolidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]pyrrolidine-3-carboxamide;hydrochloride is Cl.O=C(Nc1cc(C(F)(F)F)c[nH]c1=O)C1CCNC1.
What is the InChIKey of N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]pyrrolidine-3-carboxamide;hydrochloride?
The InChIKey is RNXLTEHRAVOKFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3N3O2.ClH/c12-11(13,14)7-3-8(10(19)16-5-7)17-9(18)6-1-2-15-4-6;/h3,5-6,15H,1-2,4H2,(H,16,19)(H,17,18);1H.
What are the key properties of N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]pyrrolidine-3-carboxamide;hydrochloride?
N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]pyrrolidine-3-carboxamide;hydrochloride has a molecular weight of 311.69 g/mol, XLogP of 1.36, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]pyrrolidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119399152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).