2-methoxy-N-[3-methyl-1-oxo-1-[[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]amino]butan-2-yl]benzamide

C19H20F3N3O4 — CID 56521557

IUPAC2-methoxy-N-[3-methyl-1-oxo-1-[[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]amino]butan-2-yl]benzamide
SMILESCOc1ccccc1C(=O)NC(C(=O)Nc1cc(C(F)(F)F)c[nH]c1=O)C(C)C
InChIInChI=1S/C19H20F3N3O4/c1-10(2)15(25-16(26)12-6-4-5-7-14(12)29-3)18(28)24-13-8-11(19(20,21)22)9-23-17(13)27/h4-10,15H,1-3H3,(H,23,27)(H,24,28)(H,25,26)
InChIKeyIJCICKJTULXRPQ-UHFFFAOYSA-N
MW411.38 g/mol
LogP2.80
Rot. Bonds6

About 2-methoxy-N-[3-methyl-1-oxo-1-[[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]amino]butan-2-yl]benzamide

2-methoxy-N-[3-methyl-1-oxo-1-[[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]amino]butan-2-yl]benzamide (PubChem CID 56521557) has the molecular formula C19H20F3N3O4 and a molecular weight of 411.38 g/mol. Its IUPAC name is 2-methoxy-N-[3-methyl-1-oxo-1-[[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]amino]butan-2-yl]benzamide.

Molecular Properties

Compound Name2-methoxy-N-[3-methyl-1-oxo-1-[[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]amino]butan-2-yl]benzamide
PubChem CID56521557
Molecular FormulaC19H20F3N3O4
Molecular Weight411.38 g/mol
Exact Mass411.14
IUPAC Name2-methoxy-N-[3-methyl-1-oxo-1-[[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]amino]butan-2-yl]benzamide
SMILESCOc1ccccc1C(=O)NC(C(=O)Nc1cc(C(F)(F)F)c[nH]c1=O)C(C)C
InChIInChI=1S/C19H20F3N3O4/c1-10(2)15(25-16(26)12-6-4-5-7-14(12)29-3)18(28)24-13-8-11(19(20,21)22)9-23-17(13)27/h4-10,15H,1-3H3,(H,23,27)(H,24,28)(H,25,26)
InChIKeyIJCICKJTULXRPQ-UHFFFAOYSA-N
XLogP2.80
TPSA100.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.38
LogP ≤ 52.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-1-(5-tert-butyl-2-methoxyanilino)-3-methyl-1-oxobutan-2-yl]-2-ethoxybenzamide
CID 7611534
N-[(2S)-1-(4-acetamidoanilino)-3-methyl-1-oxobutan-2-yl]-2-methoxybenzamide
CID 29195554
2-fluoro-N-[(2R)-1-(2-methoxy-5-methylanilino)-3-methyl-1-oxobutan-2-yl]benzamide
CID 2521734
N-[1-(2-hydroxyethylamino)-3-methyl-1-oxobutan-2-yl]-2-methoxybenzamide
CID 78799665
N-[(2S)-1-(4-iodoanilino)-3-methyl-1-oxobutan-2-yl]-2-methoxybenzamide
CID 29204396
3-amino-2-methyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]-3-phenylpropanamide
CID 119399129
N-[1-(3-amino-4-methoxyanilino)-3-methyl-1-oxobutan-2-yl]-2-methoxybenzamide;hydrochloride
CID 119418919
2-methoxy-N-[3-methyl-1-[3-(methylamino)propylamino]-1-oxobutan-2-yl]benzamide;hydrochloride
CID 119429462
N-[(2S)-1-(4,5-dimethoxy-2-methylanilino)-3-methyl-1-oxobutan-2-yl]-2-fluorobenzamide
CID 7612295
N-[1-[4-(methanesulfonamido)-3-methoxyanilino]-3-methyl-1-oxobutan-2-yl]-2-methoxybenzamide
CID 55618847
tert-butyl N-[2-fluoro-5-[[2-[(2-methoxybenzoyl)amino]-3-methylbutanoyl]amino]phenyl]carbamate
CID 55967651
N-[1-[(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)amino]-3-methyl-1-oxobutan-2-yl]-2-methoxybenzamide
CID 120881100

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[3-methyl-1-oxo-1-[[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]amino]butan-2-yl]benzamide?
The IUPAC name of 2-methoxy-N-[3-methyl-1-oxo-1-[[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]amino]butan-2-yl]benzamide (CID 56521557) is 2-methoxy-N-[3-methyl-1-oxo-1-[[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]amino]butan-2-yl]benzamide.
What is the SMILES notation for 2-methoxy-N-[3-methyl-1-oxo-1-[[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]amino]butan-2-yl]benzamide?
The canonical SMILES for 2-methoxy-N-[3-methyl-1-oxo-1-[[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]amino]butan-2-yl]benzamide is COc1ccccc1C(=O)NC(C(=O)Nc1cc(C(F)(F)F)c[nH]c1=O)C(C)C.
What is the InChIKey of 2-methoxy-N-[3-methyl-1-oxo-1-[[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]amino]butan-2-yl]benzamide?
The InChIKey is IJCICKJTULXRPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N3O4/c1-10(2)15(25-16(26)12-6-4-5-7-14(12)29-3)18(28)24-13-8-11(19(20,21)22)9-23-17(13)27/h4-10,15H,1-3H3,(H,23,27)(H,24,28)(H,25,26).
What are the key properties of 2-methoxy-N-[3-methyl-1-oxo-1-[[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]amino]butan-2-yl]benzamide?
2-methoxy-N-[3-methyl-1-oxo-1-[[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]amino]butan-2-yl]benzamide has a molecular weight of 411.38 g/mol, XLogP of 2.80, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[3-methyl-1-oxo-1-[[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]amino]butan-2-yl]benzamide is sourced from PubChem (CID 56521557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).