4-[(2-methylbutylamino)methyl]-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxamide

C14H20F3N3O2 — CID 176890381

IUPAC4-[(2-methylbutylamino)methyl]-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
SMILESCCC(C)CNCc1ccn(CC(F)(F)F)c(=O)c1C(N)=O
InChIInChI=1S/C14H20F3N3O2/c1-3-9(2)6-19-7-10-4-5-20(8-14(15,16)17)13(22)11(10)12(18)21/h4-5,9,19H,3,6-8H2,1-2H3,(H2,18,21)
InChIKeyZLAARZOUGLFCMW-UHFFFAOYSA-N
MW319.33 g/mol
LogP1.65
Rot. Bonds7

About 4-[(2-methylbutylamino)methyl]-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxamide

4-[(2-methylbutylamino)methyl]-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxamide (PubChem CID 176890381) has the molecular formula C14H20F3N3O2 and a molecular weight of 319.33 g/mol. Its IUPAC name is 4-[(2-methylbutylamino)methyl]-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name4-[(2-methylbutylamino)methyl]-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
PubChem CID176890381
Molecular FormulaC14H20F3N3O2
Molecular Weight319.33 g/mol
Exact Mass319.15
IUPAC Name4-[(2-methylbutylamino)methyl]-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
SMILESCCC(C)CNCc1ccn(CC(F)(F)F)c(=O)c1C(N)=O
InChIInChI=1S/C14H20F3N3O2/c1-3-9(2)6-19-7-10-4-5-20(8-14(15,16)17)13(22)11(10)12(18)21/h4-5,9,19H,3,6-8H2,1-2H3,(H2,18,21)
InChIKeyZLAARZOUGLFCMW-UHFFFAOYSA-N
XLogP1.65
TPSA77.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.33
LogP ≤ 51.65
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
(3S,4S)-N-(1,4-dimethyl-6-oxopyridin-3-yl)-4-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 120936993
5-[(2-Methylpropylamino)methyl]-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
CID 177250569
5-[(2-Methylpropylamino)methyl]-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxamide;hydrochloride
CID 177250576
1-methyl-2-oxo-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide
CID 37954449
N-(3-methylbutyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 40114092
N-[3-(diethylamino)-3-oxopropyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 51090697
5-[3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]pyrrolidine-1-carbonyl]-1H-pyridin-2-one
CID 71980846
2,2,2-trifluoro-N-[3-(4-methyl-2-oxo-1-pyridinyl)propyl]acetamide
CID 84279705
4-methyl-3-[4-(2,2,3,3-tetrafluoropropyl)piperazine-1-carbonyl]-1H-pyridin-2-one
CID 86785018
N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-3-(2-oxo-1-pyridinyl)propanamide
CID 86990553
5-[(3S)-3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]pyrrolidine-1-carbonyl]-1H-pyridin-2-one
CID 96569056

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methylbutylamino)methyl]-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxamide?
The IUPAC name of 4-[(2-methylbutylamino)methyl]-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxamide (CID 176890381) is 4-[(2-methylbutylamino)methyl]-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxamide.
What is the SMILES notation for 4-[(2-methylbutylamino)methyl]-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxamide?
The canonical SMILES for 4-[(2-methylbutylamino)methyl]-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxamide is CCC(C)CNCc1ccn(CC(F)(F)F)c(=O)c1C(N)=O.
What is the InChIKey of 4-[(2-methylbutylamino)methyl]-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxamide?
The InChIKey is ZLAARZOUGLFCMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3N3O2/c1-3-9(2)6-19-7-10-4-5-20(8-14(15,16)17)13(22)11(10)12(18)21/h4-5,9,19H,3,6-8H2,1-2H3,(H2,18,21).
What are the key properties of 4-[(2-methylbutylamino)methyl]-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxamide?
4-[(2-methylbutylamino)methyl]-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxamide has a molecular weight of 319.33 g/mol, XLogP of 1.65, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methylbutylamino)methyl]-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxamide is sourced from PubChem (CID 176890381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).