N-methyl-4-[4-[2-[[1-methyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]amino]-2-oxoethoxy]phenoxy]pyridine-2-carboxamide

C22H19F3N4O5 — CID 90044425

IUPACN-methyl-4-[4-[2-[[1-methyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]amino]-2-oxoethoxy]phenoxy]pyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc(OCC(=O)Nc3cc(C(F)(F)F)cn(C)c3=O)cc2)ccn1
InChIInChI=1S/C22H19F3N4O5/c1-26-20(31)17-10-16(7-8-27-17)34-15-5-3-14(4-6-15)33-12-19(30)28-18-9-13(22(23,24)25)11-29(2)21(18)32/h3-11H,12H2,1-2H3,(H,26,31)(H,28,30)
InChIKeyQNIIBHLNDYBPKW-UHFFFAOYSA-N
MW476.41 g/mol
LogP2.97
Rot. Bonds7

About N-methyl-4-[4-[2-[[1-methyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]amino]-2-oxoethoxy]phenoxy]pyridine-2-carboxamide

N-methyl-4-[4-[2-[[1-methyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]amino]-2-oxoethoxy]phenoxy]pyridine-2-carboxamide (PubChem CID 90044425) has the molecular formula C22H19F3N4O5 and a molecular weight of 476.41 g/mol. Its IUPAC name is N-methyl-4-[4-[2-[[1-methyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]amino]-2-oxoethoxy]phenoxy]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-4-[4-[2-[[1-methyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]amino]-2-oxoethoxy]phenoxy]pyridine-2-carboxamide
PubChem CID90044425
Molecular FormulaC22H19F3N4O5
Molecular Weight476.41 g/mol
Exact Mass476.13
IUPAC NameN-methyl-4-[4-[2-[[1-methyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]amino]-2-oxoethoxy]phenoxy]pyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc(OCC(=O)Nc3cc(C(F)(F)F)cn(C)c3=O)cc2)ccn1
InChIInChI=1S/C22H19F3N4O5/c1-26-20(31)17-10-16(7-8-27-17)34-15-5-3-14(4-6-15)33-12-19(30)28-18-9-13(22(23,24)25)11-29(2)21(18)32/h3-11H,12H2,1-2H3,(H,26,31)(H,28,30)
InChIKeyQNIIBHLNDYBPKW-UHFFFAOYSA-N
XLogP2.97
TPSA111.55 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.41
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[1-methyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]-2-(4-quinolin-4-yloxyphenoxy)acetamide
CID 90044470
[3-[[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]methylcarbamoylamino]-2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl formate
CID 118301675
N'-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-N-[4-(trifluoromethyl)phenyl]oxamide
CID 11236465
N-methyl-4-[4-[[2-methyl-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide
CID 143505922
4-[4-[[2-hydroxy-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide
CID 58919812
4-[4-[3-[2-[2-(dimethylamino)ethyl-methylamino]-5-(trifluoromethyl)anilino]-3-oxopropyl]phenoxy]-N-methylpyridine-2-carboxamide
CID 159439313
N-methyl-4-[4-[[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide
CID 11720856
4-[4-[[2-[2-fluoro-5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)anilino]-2-oxoethyl]amino]phenoxy]-N-methylpyridine-2-carboxamide
CID 138743264
4-[4-[[3-fluoro-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide
CID 138743676
N'-[3-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-N-[4-(trifluoromethyl)phenyl]propanediamide
CID 58968812
4-[5-[[3,5-bis(trifluoromethyl)benzoyl]amino]naphthalen-2-yl]oxy-N-methylpyridine-2-carboxamide
CID 59813634
4-[4-[[[2-(2-amino-2-oxoethyl)-5-(trifluoromethyl)phenyl]carbamoylamino]methyl]phenoxy]-N-methylpyridine-2-carboxamide
CID 90044840

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[4-[2-[[1-methyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]amino]-2-oxoethoxy]phenoxy]pyridine-2-carboxamide?
The IUPAC name of N-methyl-4-[4-[2-[[1-methyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]amino]-2-oxoethoxy]phenoxy]pyridine-2-carboxamide (CID 90044425) is N-methyl-4-[4-[2-[[1-methyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]amino]-2-oxoethoxy]phenoxy]pyridine-2-carboxamide.
What is the SMILES notation for N-methyl-4-[4-[2-[[1-methyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]amino]-2-oxoethoxy]phenoxy]pyridine-2-carboxamide?
The canonical SMILES for N-methyl-4-[4-[2-[[1-methyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]amino]-2-oxoethoxy]phenoxy]pyridine-2-carboxamide is CNC(=O)c1cc(Oc2ccc(OCC(=O)Nc3cc(C(F)(F)F)cn(C)c3=O)cc2)ccn1.
What is the InChIKey of N-methyl-4-[4-[2-[[1-methyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]amino]-2-oxoethoxy]phenoxy]pyridine-2-carboxamide?
The InChIKey is QNIIBHLNDYBPKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F3N4O5/c1-26-20(31)17-10-16(7-8-27-17)34-15-5-3-14(4-6-15)33-12-19(30)28-18-9-13(22(23,24)25)11-29(2)21(18)32/h3-11H,12H2,1-2H3,(H,26,31)(H,28,30).
What are the key properties of N-methyl-4-[4-[2-[[1-methyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]amino]-2-oxoethoxy]phenoxy]pyridine-2-carboxamide?
N-methyl-4-[4-[2-[[1-methyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]amino]-2-oxoethoxy]phenoxy]pyridine-2-carboxamide has a molecular weight of 476.41 g/mol, XLogP of 2.97, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[4-[2-[[1-methyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]amino]-2-oxoethoxy]phenoxy]pyridine-2-carboxamide is sourced from PubChem (CID 90044425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).