N-[2-(dimethylamino)-2-oxoethyl]-4-[4-[(2,2,4,4-tetrafluoro-1,3-benzodioxin-6-yl)carbamoylamino]phenoxy]pyridine-2-carboxamide;4-[3-fluoro-4-(quinoxalin-2-ylcarbamoylamino)phenoxy]-N-methylpyridine-2-carboxamide

C47H38F5N11O9 — CID 87984530

IUPACN-[2-(dimethylamino)-2-oxoethyl]-4-[4-[(2,2,4,4-tetrafluoro-1,3-benzodioxin-6-yl)carbamoylamino]phenoxy]pyridine-2-carboxamide;4-[3-fluoro-4-(quinoxalin-2-ylcarbamoylamino)phenoxy]-N-methylpyridine-2-carboxamide
SMILESCN(C)C(=O)CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc4c(c3)C(F)(F)OC(F)(F)O4)cc2)ccn1.CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3cnc4ccccc4n3)c(F)c2)ccn1
InChIInChI=1S/C25H21F4N5O6.C22H17FN6O3/c1-34(2)21(35)13-31-22(36)19-12-17(9-10-30-19)38-16-6-3-14(4-7-16)32-23(37)33-15-5-8-20-18(11-15)24(26,27)40-25(28,29)39-20;1-24-21(30)19-11-14(8-9-25-19)32-13-6-7-16(15(23)10-13)28-22(31)29-20-12-26-17-4-2-3-5-18(17)27-20/h3-12H,13H2,1-2H3,(H,31,36)(H2,32,33,37);2-12H,1H3,(H,24,30)(H2,27,28,29,31)
InChIKeyCFVMVMQNGUHBNB-UHFFFAOYSA-N
MW995.88 g/mol
LogP8.30
Rot. Bonds12

About N-[2-(dimethylamino)-2-oxoethyl]-4-[4-[(2,2,4,4-tetrafluoro-1,3-benzodioxin-6-yl)carbamoylamino]phenoxy]pyridine-2-carboxamide;4-[3-fluoro-4-(quinoxalin-2-ylcarbamoylamino)phenoxy]-N-methylpyridine-2-carboxamide

N-[2-(dimethylamino)-2-oxoethyl]-4-[4-[(2,2,4,4-tetrafluoro-1,3-benzodioxin-6-yl)carbamoylamino]phenoxy]pyridine-2-carboxamide;4-[3-fluoro-4-(quinoxalin-2-ylcarbamoylamino)phenoxy]-N-methylpyridine-2-carboxamide (PubChem CID 87984530) has the molecular formula C47H38F5N11O9 and a molecular weight of 995.88 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-oxoethyl]-4-[4-[(2,2,4,4-tetrafluoro-1,3-benzodioxin-6-yl)carbamoylamino]phenoxy]pyridine-2-carboxamide;4-[3-fluoro-4-(quinoxalin-2-ylcarbamoylamino)phenoxy]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-oxoethyl]-4-[4-[(2,2,4,4-tetrafluoro-1,3-benzodioxin-6-yl)carbamoylamino]phenoxy]pyridine-2-carboxamide;4-[3-fluoro-4-(quinoxalin-2-ylcarbamoylamino)phenoxy]-N-methylpyridine-2-carboxamide
PubChem CID87984530
Molecular FormulaC47H38F5N11O9
Molecular Weight995.88 g/mol
Exact Mass995.28
IUPAC NameN-[2-(dimethylamino)-2-oxoethyl]-4-[4-[(2,2,4,4-tetrafluoro-1,3-benzodioxin-6-yl)carbamoylamino]phenoxy]pyridine-2-carboxamide;4-[3-fluoro-4-(quinoxalin-2-ylcarbamoylamino)phenoxy]-N-methylpyridine-2-carboxamide
SMILESCN(C)C(=O)CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc4c(c3)C(F)(F)OC(F)(F)O4)cc2)ccn1.CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3cnc4ccccc4n3)c(F)c2)ccn1
InChIInChI=1S/C25H21F4N5O6.C22H17FN6O3/c1-34(2)21(35)13-31-22(36)19-12-17(9-10-30-19)38-16-6-3-14(4-7-16)32-23(37)33-15-5-8-20-18(11-15)24(26,27)40-25(28,29)39-20;1-24-21(30)19-11-14(8-9-25-19)32-13-6-7-16(15(23)10-13)28-22(31)29-20-12-26-17-4-2-3-5-18(17)27-20/h3-12H,13H2,1-2H3,(H,31,36)(H2,32,33,37);2-12H,1H3,(H,24,30)(H2,27,28,29,31)
InChIKeyCFVMVMQNGUHBNB-UHFFFAOYSA-N
XLogP8.30
TPSA249.25 Ų
H-Bond Donors6
H-Bond Acceptors13
Rotatable Bonds12
Heavy Atoms72
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 500995.88
LogP ≤ 58.30
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1013

Analyze N-[2-(dimethylamino)-2-oxoethyl]-4-[4-[(2,2,4,4-tetrafluoro-1,3-benzodioxin-6-yl)carbamoylamino]phenoxy]pyridine-2-carboxamide;4-[3-fluoro-4-(quinoxalin-2-ylcarbamoylamino)phenoxy]-N-methylpyridine-2-carboxamide with MolForge

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Related Compounds

N-methyl-4-[3-methyl-4-[(2,2,4,4-tetrafluoro-1,3-benzodioxin-6-yl)carbamoylamino]phenoxy]pyridine-2-carboxamide
CID 59987487
4-[3-fluoro-4-[(2,2,4,4-tetrafluoro-1,3-benzodioxin-6-yl)carbamoylamino]phenoxy]pyridine-2-carboxamide
CID 87984351
4-[3-fluoro-4-[(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide
CID 10436350
1-[4-[(2-cyano-4-pyridinyl)oxy]-2-fluorophenyl]-3-(2,2,4,4-tetrafluoro-1,3-benzodioxin-6-yl)urea
CID 10435180
4-[4-[(2,2-difluoro-1,3-benzodioxol-5-yl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide
CID 10048974
N-(2-piperidin-1-ylethyl)-4-[4-[(2,2,4,4-tetrafluoro-1,3-benzodioxin-6-yl)carbamoylamino]phenoxy]pyridine-2-carboxamide
CID 59987443
4-[4-[(4-chloro-3-cyclopropyloxyphenyl)carbamoylamino]-3-fluorophenoxy]-N-methylpyridine-2-carboxamide
CID 155813322
4-[4-[[4-chloro-3-(trifluoromethoxy)phenyl]carbamoylamino]-3-fluorophenoxy]-N-methylpyridine-2-carboxamide
CID 155813764
N-methyl-4-[4-[(2-methylphenyl)carbamoylamino]phenoxy]pyridine-2-carboxamide
CID 56931255
4-[4-[(3-fluorophenyl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide
CID 131953290
4-[4-[(4-chloro-3-propan-2-ylphenyl)carbamoylamino]-3-fluorophenoxy]-N-methylpyridine-2-carboxamide
CID 155808888
4-[4-[(2,5-difluorophenyl)carbamoylamino]-3-fluorophenoxy]-N-methylpyridine-2-carboxamide
CID 131953293

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-oxoethyl]-4-[4-[(2,2,4,4-tetrafluoro-1,3-benzodioxin-6-yl)carbamoylamino]phenoxy]pyridine-2-carboxamide;4-[3-fluoro-4-(quinoxalin-2-ylcarbamoylamino)phenoxy]-N-methylpyridine-2-carboxamide?
The IUPAC name of N-[2-(dimethylamino)-2-oxoethyl]-4-[4-[(2,2,4,4-tetrafluoro-1,3-benzodioxin-6-yl)carbamoylamino]phenoxy]pyridine-2-carboxamide;4-[3-fluoro-4-(quinoxalin-2-ylcarbamoylamino)phenoxy]-N-methylpyridine-2-carboxamide (CID 87984530) is N-[2-(dimethylamino)-2-oxoethyl]-4-[4-[(2,2,4,4-tetrafluoro-1,3-benzodioxin-6-yl)carbamoylamino]phenoxy]pyridine-2-carboxamide;4-[3-fluoro-4-(quinoxalin-2-ylcarbamoylamino)phenoxy]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-oxoethyl]-4-[4-[(2,2,4,4-tetrafluoro-1,3-benzodioxin-6-yl)carbamoylamino]phenoxy]pyridine-2-carboxamide;4-[3-fluoro-4-(quinoxalin-2-ylcarbamoylamino)phenoxy]-N-methylpyridine-2-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)-2-oxoethyl]-4-[4-[(2,2,4,4-tetrafluoro-1,3-benzodioxin-6-yl)carbamoylamino]phenoxy]pyridine-2-carboxamide;4-[3-fluoro-4-(quinoxalin-2-ylcarbamoylamino)phenoxy]-N-methylpyridine-2-carboxamide is CN(C)C(=O)CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc4c(c3)C(F)(F)OC(F)(F)O4)cc2)ccn1.CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3cnc4ccccc4n3)c(F)c2)ccn1.
What is the InChIKey of N-[2-(dimethylamino)-2-oxoethyl]-4-[4-[(2,2,4,4-tetrafluoro-1,3-benzodioxin-6-yl)carbamoylamino]phenoxy]pyridine-2-carboxamide;4-[3-fluoro-4-(quinoxalin-2-ylcarbamoylamino)phenoxy]-N-methylpyridine-2-carboxamide?
The InChIKey is CFVMVMQNGUHBNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21F4N5O6.C22H17FN6O3/c1-34(2)21(35)13-31-22(36)19-12-17(9-10-30-19)38-16-6-3-14(4-7-16)32-23(37)33-15-5-8-20-18(11-15)24(26,27)40-25(28,29)39-20;1-24-21(30)19-11-14(8-9-25-19)32-13-6-7-16(15(23)10-13)28-22(31)29-20-12-26-17-4-2-3-5-18(17)27-20/h3-12H,13H2,1-2H3,(H,31,36)(H2,32,33,37);2-12H,1H3,(H,24,30)(H2,27,28,29,31).
What are the key properties of N-[2-(dimethylamino)-2-oxoethyl]-4-[4-[(2,2,4,4-tetrafluoro-1,3-benzodioxin-6-yl)carbamoylamino]phenoxy]pyridine-2-carboxamide;4-[3-fluoro-4-(quinoxalin-2-ylcarbamoylamino)phenoxy]-N-methylpyridine-2-carboxamide?
N-[2-(dimethylamino)-2-oxoethyl]-4-[4-[(2,2,4,4-tetrafluoro-1,3-benzodioxin-6-yl)carbamoylamino]phenoxy]pyridine-2-carboxamide;4-[3-fluoro-4-(quinoxalin-2-ylcarbamoylamino)phenoxy]-N-methylpyridine-2-carboxamide has a molecular weight of 995.88 g/mol, XLogP of 8.30, 12 rotatable bonds, 6 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-oxoethyl]-4-[4-[(2,2,4,4-tetrafluoro-1,3-benzodioxin-6-yl)carbamoylamino]phenoxy]pyridine-2-carboxamide;4-[3-fluoro-4-(quinoxalin-2-ylcarbamoylamino)phenoxy]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 87984530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).