5-[(2-methylpropylamino)methyl]-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxamide;hydrochloride

C13H19ClF3N3O2 — CID 177250576

IUPAC5-[(2-methylpropylamino)methyl]-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxamide;hydrochloride
SMILESCC(C)CNCc1cc(C(N)=O)c(=O)n(CC(F)(F)F)c1.Cl
InChIInChI=1S/C13H18F3N3O2.ClH/c1-8(2)4-18-5-9-3-10(11(17)20)12(21)19(6-9)7-13(14,15)16;/h3,6,8,18H,4-5,7H2,1-2H3,(H2,17,20);1H
InChIKeyWAFMNTRPQYIJFJ-UHFFFAOYSA-N
MW341.76 g/mol
LogP1.68
Rot. Bonds6

About 5-[(2-methylpropylamino)methyl]-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxamide;hydrochloride

5-[(2-methylpropylamino)methyl]-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxamide;hydrochloride (PubChem CID 177250576) has the molecular formula C13H19ClF3N3O2 and a molecular weight of 341.76 g/mol. Its IUPAC name is 5-[(2-methylpropylamino)methyl]-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name5-[(2-methylpropylamino)methyl]-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxamide;hydrochloride
PubChem CID177250576
Molecular FormulaC13H19ClF3N3O2
Molecular Weight341.76 g/mol
Exact Mass341.11
IUPAC Name5-[(2-methylpropylamino)methyl]-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxamide;hydrochloride
SMILESCC(C)CNCc1cc(C(N)=O)c(=O)n(CC(F)(F)F)c1.Cl
InChIInChI=1S/C13H18F3N3O2.ClH/c1-8(2)4-18-5-9-3-10(11(17)20)12(21)19(6-9)7-13(14,15)16;/h3,6,8,18H,4-5,7H2,1-2H3,(H2,17,20);1H
InChIKeyWAFMNTRPQYIJFJ-UHFFFAOYSA-N
XLogP1.68
TPSA77.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.76
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(cyclopropylmethyl)-4,6-dimethyl-2-oxo-N-(3,3,3-trifluoropropyl)-1H-pyridine-3-carboxamide
CID 71859348
3-[2-Oxo-5-(trifluoromethyl)pyridin-1-yl]propanamide
CID 17436445
6-ethyl-5-methyl-2-oxo-N-propan-2-yl-1-(4,4,4-trifluorobutyl)pyridine-3-carboxamide
CID 59718858
6-ethyl-N,5-dimethyl-2-oxo-1-(4,4,4-trifluorobutyl)pyridine-3-carboxamide
CID 68082881
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2,2,2-trifluoroacetamide
CID 84558717
3-(Aminomethyl)-1-methyl-5-(trifluoromethyl)pyridin-2-one
CID 123174105
3-N-(2,2-difluorocyclopropyl)-3-N-methyl-2-oxo-1H-pyridine-3,5-dicarboxamide
CID 126648856
1-(2,2-difluorocyclopropyl)-3-N-methyl-2-oxopyridine-3,5-dicarboxamide
CID 126648857
1-[(2E,4E)-2-ethenyl-5-fluorohexa-2,4-dienyl]-N,5-dimethyl-2-oxopyridine-3-carboxamide
CID 126739608
2-Hydroxy-5-(trifluoromethyl)nicotinamide
CID 131190497
N-[[6-methyl-2-oxo-4-(trifluoromethyl)-1H-pyridin-3-yl]methyl]propanamide
CID 134340734
2-methyl-N-[[5-oxo-7-(trifluoromethyl)-3H-indolizin-6-yl]methyl]propanamide
CID 147686592

Frequently Asked Questions

What is the IUPAC name of 5-[(2-methylpropylamino)methyl]-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxamide;hydrochloride?
The IUPAC name of 5-[(2-methylpropylamino)methyl]-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxamide;hydrochloride (CID 177250576) is 5-[(2-methylpropylamino)methyl]-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxamide;hydrochloride.
What is the SMILES notation for 5-[(2-methylpropylamino)methyl]-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxamide;hydrochloride?
The canonical SMILES for 5-[(2-methylpropylamino)methyl]-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxamide;hydrochloride is CC(C)CNCc1cc(C(N)=O)c(=O)n(CC(F)(F)F)c1.Cl.
What is the InChIKey of 5-[(2-methylpropylamino)methyl]-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxamide;hydrochloride?
The InChIKey is WAFMNTRPQYIJFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3N3O2.ClH/c1-8(2)4-18-5-9-3-10(11(17)20)12(21)19(6-9)7-13(14,15)16;/h3,6,8,18H,4-5,7H2,1-2H3,(H2,17,20);1H.
What are the key properties of 5-[(2-methylpropylamino)methyl]-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxamide;hydrochloride?
5-[(2-methylpropylamino)methyl]-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxamide;hydrochloride has a molecular weight of 341.76 g/mol, XLogP of 1.68, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methylpropylamino)methyl]-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxamide;hydrochloride is sourced from PubChem (CID 177250576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).