N-(pyrrolidin-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide;dihydrochloride

C13H18Cl2F3N3O2 — CID 119514467

IUPACN-(pyrrolidin-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(NCC1CCCN1)c1cccnc1OCC(F)(F)F
InChIInChI=1S/C13H16F3N3O2.2ClH/c14-13(15,16)8-21-12-10(4-2-6-18-12)11(20)19-7-9-3-1-5-17-9;;/h2,4,6,9,17H,1,3,5,7-8H2,(H,19,20);2*1H
InChIKeyOPIICLIZASALBE-UHFFFAOYSA-N
MW376.21 g/mol
LogP2.35
Rot. Bonds5

About N-(pyrrolidin-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide;dihydrochloride

N-(pyrrolidin-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide;dihydrochloride (PubChem CID 119514467) has the molecular formula C13H18Cl2F3N3O2 and a molecular weight of 376.21 g/mol. Its IUPAC name is N-(pyrrolidin-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-(pyrrolidin-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide;dihydrochloride
PubChem CID119514467
Molecular FormulaC13H18Cl2F3N3O2
Molecular Weight376.21 g/mol
Exact Mass375.07
IUPAC NameN-(pyrrolidin-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(NCC1CCCN1)c1cccnc1OCC(F)(F)F
InChIInChI=1S/C13H16F3N3O2.2ClH/c14-13(15,16)8-21-12-10(4-2-6-18-12)11(20)19-7-9-3-1-5-17-9;;/h2,4,6,9,17H,1,3,5,7-8H2,(H,19,20);2*1H
InChIKeyOPIICLIZASALBE-UHFFFAOYSA-N
XLogP2.35
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.21
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-N-(pyrrolidin-2-ylmethyl)pyridine-3-carboxamide
CID 55126271
N-(oxolan-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 42953477
2-pyrrolidin-2-yl-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]acetamide;dihydrochloride
CID 119847157
N-piperidin-3-yl-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 119428934
N-[[(2R)-pyrrolidin-2-yl]methyl]-2-(trifluoromethyl)benzamide;hydrochloride
CID 175666321
2-(2,4-dichlorophenoxy)-N-(pyrrolidin-2-ylmethyl)pyridine-3-carboxamide
CID 119514700
1-(3-chloro-2-pyridinyl)-N-(pyrrolidin-2-ylmethyl)-5-(trifluoromethyl)pyrazole-4-carboxamide;dihydrochloride
CID 119511571
N-(piperidin-2-ylmethyl)-2,5-bis(2,2,2-trifluoroethoxy)benzamide;hydrobromide
CID 11705938
1-(3-chloro-2-pyridinyl)-N-(pyrrolidin-2-ylmethyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 119511572
5-hydroxy-N-[[(2S)-piperidin-2-yl]methyl]-2-(2,2,2-trifluoroethoxy)benzamide
CID 40582614
2-bromo-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
CID 119511017
[3-(piperidin-2-ylmethylcarbamoyl)-4-(2,2,2-trifluoroethoxy)phenyl] acetate
CID 70515248

Frequently Asked Questions

What is the IUPAC name of N-(pyrrolidin-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide;dihydrochloride?
The IUPAC name of N-(pyrrolidin-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide;dihydrochloride (CID 119514467) is N-(pyrrolidin-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide;dihydrochloride.
What is the SMILES notation for N-(pyrrolidin-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide;dihydrochloride?
The canonical SMILES for N-(pyrrolidin-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide;dihydrochloride is Cl.Cl.O=C(NCC1CCCN1)c1cccnc1OCC(F)(F)F.
What is the InChIKey of N-(pyrrolidin-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide;dihydrochloride?
The InChIKey is OPIICLIZASALBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N3O2.2ClH/c14-13(15,16)8-21-12-10(4-2-6-18-12)11(20)19-7-9-3-1-5-17-9;;/h2,4,6,9,17H,1,3,5,7-8H2,(H,19,20);2*1H.
What are the key properties of N-(pyrrolidin-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide;dihydrochloride?
N-(pyrrolidin-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide;dihydrochloride has a molecular weight of 376.21 g/mol, XLogP of 2.35, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyrrolidin-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide;dihydrochloride is sourced from PubChem (CID 119514467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).