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

C12H15ClF3N3O2 — CID 72046366

IUPACN-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]piperidine-2-carboxamide;hydrochloride
SMILESC1CCNC(C1)C(=O)NC2=CC(=CNC2=O)C(F)(F)F.Cl
InChIInChI=1S/C12H14F3N3O2.ClH/c13-12(14,15)7-5-9(10(19)17-6-7)18-11(20)8-3-1-2-4-16-8;/h5-6,8,16H,1-4H2,(H,17,19)(H,18,20);1H
InChIKeyRLPAVBYETXSKRB-UHFFFAOYSA-N
MW325.71 g/mol
LogP—
Rot. Bonds2

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

N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]piperidine-2-carboxamide;hydrochloride (PubChem CID 72046366) has the molecular formula C12H15ClF3N3O2 and a molecular weight of 325.71 g/mol. Its IUPAC name is N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]piperidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]piperidine-2-carboxamide;hydrochloride
PubChem CID72046366
Molecular FormulaC12H15ClF3N3O2
Molecular Weight325.71 g/mol
Exact Mass325.08
IUPAC NameN-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]piperidine-2-carboxamide;hydrochloride
SMILESC1CCNC(C1)C(=O)NC2=CC(=CNC2=O)C(F)(F)F.Cl
InChIInChI=1S/C12H14F3N3O2.ClH/c13-12(14,15)7-5-9(10(19)17-6-7)18-11(20)8-3-1-2-4-16-8;/h5-6,8,16H,1-4H2,(H,17,19)(H,18,20);1H
InChIKeyRLPAVBYETXSKRB-UHFFFAOYSA-N
XLogP—
TPSA70.20 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity483

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.71
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]piperidine-2-carboxamide;hydrochloride?
The IUPAC name of N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]piperidine-2-carboxamide;hydrochloride (CID 72046366) is N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]piperidine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]piperidine-2-carboxamide;hydrochloride?
The canonical SMILES for N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]piperidine-2-carboxamide;hydrochloride is C1CCNC(C1)C(=O)NC2=CC(=CNC2=O)C(F)(F)F.Cl.
What is the InChIKey of N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]piperidine-2-carboxamide;hydrochloride?
The InChIKey is RLPAVBYETXSKRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N3O2.ClH/c13-12(14,15)7-5-9(10(19)17-6-7)18-11(20)8-3-1-2-4-16-8;/h5-6,8,16H,1-4H2,(H,17,19)(H,18,20);1H.
What are the key properties of N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]piperidine-2-carboxamide;hydrochloride?
N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]piperidine-2-carboxamide;hydrochloride has a molecular weight of 325.71 g/mol, XLogP of not available, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]piperidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 72046366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).