4-(4-aminophenoxy)-N-(trideuteriomethyl)pyridine-2-carboxamide;1-chloro-4-isocyanato-2-methylbenzene;4-[4-[(4-chloro-3-methylphenyl)carbamoylamino]phenoxy]-N-(trideuteriomethyl)pyridine-2-carboxamide;triiodovanadium

C42H38Cl2I3N8O6V — CID 162059136

IUPAC4-(4-aminophenoxy)-N-(trideuteriomethyl)pyridine-2-carboxamide;1-chloro-4-isocyanato-2-methylbenzene;4-[4-[(4-chloro-3-methylphenyl)carbamoylamino]phenoxy]-N-(trideuteriomethyl)pyridine-2-carboxamide;triiodovanadium
SMILESCc1cc(N=C=O)ccc1Cl.I[V](I)I.[2H]C([2H])([2H])NC(=O)c1cc(Oc2ccc(N)cc2)ccn1.[2H]C([2H])([2H])NC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C)c3)cc2)ccn1
InChIInChI=1S/C21H19ClN4O3.C13H13N3O2.C8H6ClNO.3HI.V/c1-13-11-15(5-8-18(13)22)26-21(28)25-14-3-6-16(7-4-14)29-17-9-10-24-19(12-17)20(27)23-2;1-15-13(17)12-8-11(6-7-16-12)18-10-4-2-9(14)3-5-10;1-6-4-7(10-5-11)2-3-8(6)9;;;;/h3-12H,1-2H3,(H,23,27)(H2,25,26,28);2-8H,14H2,1H3,(H,15,17);2-4H,1H3;3*1H;/q;;;;;;+3/p-3/i2D3;1D3;;;;;
InChIKeyYZOYMVVGELYJQE-UUZOTWKZSA-K
MW1259.41 g/mol
LogP11.93
Rot. Bonds11

About 4-(4-aminophenoxy)-N-(trideuteriomethyl)pyridine-2-carboxamide;1-chloro-4-isocyanato-2-methylbenzene;4-[4-[(4-chloro-3-methylphenyl)carbamoylamino]phenoxy]-N-(trideuteriomethyl)pyridine-2-carboxamide;triiodovanadium

4-(4-aminophenoxy)-N-(trideuteriomethyl)pyridine-2-carboxamide;1-chloro-4-isocyanato-2-methylbenzene;4-[4-[(4-chloro-3-methylphenyl)carbamoylamino]phenoxy]-N-(trideuteriomethyl)pyridine-2-carboxamide;triiodovanadium (PubChem CID 162059136) has the molecular formula C42H38Cl2I3N8O6V and a molecular weight of 1259.41 g/mol. Its IUPAC name is 4-(4-aminophenoxy)-N-(trideuteriomethyl)pyridine-2-carboxamide;1-chloro-4-isocyanato-2-methylbenzene;4-[4-[(4-chloro-3-methylphenyl)carbamoylamino]phenoxy]-N-(trideuteriomethyl)pyridine-2-carboxamide;triiodovanadium.

Molecular Properties

Compound Name4-(4-aminophenoxy)-N-(trideuteriomethyl)pyridine-2-carboxamide;1-chloro-4-isocyanato-2-methylbenzene;4-[4-[(4-chloro-3-methylphenyl)carbamoylamino]phenoxy]-N-(trideuteriomethyl)pyridine-2-carboxamide;triiodovanadium
PubChem CID162059136
Molecular FormulaC42H38Cl2I3N8O6V
Molecular Weight1259.41 g/mol
Exact Mass1257.92
IUPAC Name4-(4-aminophenoxy)-N-(trideuteriomethyl)pyridine-2-carboxamide;1-chloro-4-isocyanato-2-methylbenzene;4-[4-[(4-chloro-3-methylphenyl)carbamoylamino]phenoxy]-N-(trideuteriomethyl)pyridine-2-carboxamide;triiodovanadium
SMILESCc1cc(N=C=O)ccc1Cl.I[V](I)I.[2H]C([2H])([2H])NC(=O)c1cc(Oc2ccc(N)cc2)ccn1.[2H]C([2H])([2H])NC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C)c3)cc2)ccn1
InChIInChI=1S/C21H19ClN4O3.C13H13N3O2.C8H6ClNO.3HI.V/c1-13-11-15(5-8-18(13)22)26-21(28)25-14-3-6-16(7-4-14)29-17-9-10-24-19(12-17)20(27)23-2;1-15-13(17)12-8-11(6-7-16-12)18-10-4-2-9(14)3-5-10;1-6-4-7(10-5-11)2-3-8(6)9;;;;/h3-12H,1-2H3,(H,23,27)(H2,25,26,28);2-8H,14H2,1H3,(H,15,17);2-4H,1H3;3*1H;/q;;;;;;+3/p-3/i2D3;1D3;;;;;
InChIKeyYZOYMVVGELYJQE-UUZOTWKZSA-K
XLogP11.93
TPSA199.02 Ų
H-Bond Donors5
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001259.41
LogP ≤ 511.93
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'isocyanate', 'substructure': 'N/A'}

Analyze 4-(4-aminophenoxy)-N-(trideuteriomethyl)pyridine-2-carboxamide;1-chloro-4-isocyanato-2-methylbenzene;4-[4-[(4-chloro-3-methylphenyl)carbamoylamino]phenoxy]-N-(trideuteriomethyl)pyridine-2-carboxamide;triiodovanadium with MolForge

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Related Compounds

1-chloro-4-isocyanato-2-methylbenzene;4-chloro-3-methylaniline;4-[4-[(4-chloro-3-methylphenyl)carbamoylamino]phenoxy]-N-(trideuteriomethyl)pyridine-2-carboxamide;1-(4-chloro-3-methylphenyl)-3-(4-hydroxyphenyl)urea;1-(4-chloro-3-methylphenyl)-3-(4-methoxyphenyl)urea;ethane;iodomethane;methane;4-methoxyaniline;4-methyl-N-(trideuteriomethyl)pyridine-2-carboxamide;molecular iodine;triiodovanadium;triiodide
CID 158025075
methyl 4-[4-[(4-chloro-3-methylphenyl)carbamoylamino]phenoxy]pyridine-2-carboxylate
CID 71248936
4-[3-amino-4-[(4-chloro-3-methylphenyl)carbamothioylamino]phenoxy]-N-methylpyridine-2-carboxamide
CID 89041396
4-[4-[(2-chloro-6-methylphenyl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide
CID 139036241
4-[4-[(3-chlorophenyl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide
CID 118002051
4-[4-[(4-chloro-3-methylphenoxy)carbamoylamino]phenoxy]-N-(trifluoromethyl)pyridine-2-carboxamide
CID 91398300
4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-3-fluorophenoxy]-N-(trideuteriomethyl)pyridine-2-carboxamide;hydrate
CID 91810343
N-methyl-4-[4-[(2-methylphenyl)carbamoylamino]phenoxy]pyridine-2-carboxamide
CID 56931255
4-[4-[(4-chloro-3-methylphenyl)carbamothioylamino]-3-fluorophenoxy]-N-methylpyridine-2-carboxamide
CID 159662523
butanedioic acid;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide
CID 44598971
N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]carbamate
CID 86648443
4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;ethane;ethenylphosphane
CID 143776464

Frequently Asked Questions

What is the IUPAC name of 4-(4-aminophenoxy)-N-(trideuteriomethyl)pyridine-2-carboxamide;1-chloro-4-isocyanato-2-methylbenzene;4-[4-[(4-chloro-3-methylphenyl)carbamoylamino]phenoxy]-N-(trideuteriomethyl)pyridine-2-carboxamide;triiodovanadium?
The IUPAC name of 4-(4-aminophenoxy)-N-(trideuteriomethyl)pyridine-2-carboxamide;1-chloro-4-isocyanato-2-methylbenzene;4-[4-[(4-chloro-3-methylphenyl)carbamoylamino]phenoxy]-N-(trideuteriomethyl)pyridine-2-carboxamide;triiodovanadium (CID 162059136) is 4-(4-aminophenoxy)-N-(trideuteriomethyl)pyridine-2-carboxamide;1-chloro-4-isocyanato-2-methylbenzene;4-[4-[(4-chloro-3-methylphenyl)carbamoylamino]phenoxy]-N-(trideuteriomethyl)pyridine-2-carboxamide;triiodovanadium.
What is the SMILES notation for 4-(4-aminophenoxy)-N-(trideuteriomethyl)pyridine-2-carboxamide;1-chloro-4-isocyanato-2-methylbenzene;4-[4-[(4-chloro-3-methylphenyl)carbamoylamino]phenoxy]-N-(trideuteriomethyl)pyridine-2-carboxamide;triiodovanadium?
The canonical SMILES for 4-(4-aminophenoxy)-N-(trideuteriomethyl)pyridine-2-carboxamide;1-chloro-4-isocyanato-2-methylbenzene;4-[4-[(4-chloro-3-methylphenyl)carbamoylamino]phenoxy]-N-(trideuteriomethyl)pyridine-2-carboxamide;triiodovanadium is Cc1cc(N=C=O)ccc1Cl.I[V](I)I.[2H]C([2H])([2H])NC(=O)c1cc(Oc2ccc(N)cc2)ccn1.[2H]C([2H])([2H])NC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C)c3)cc2)ccn1.
What is the InChIKey of 4-(4-aminophenoxy)-N-(trideuteriomethyl)pyridine-2-carboxamide;1-chloro-4-isocyanato-2-methylbenzene;4-[4-[(4-chloro-3-methylphenyl)carbamoylamino]phenoxy]-N-(trideuteriomethyl)pyridine-2-carboxamide;triiodovanadium?
The InChIKey is YZOYMVVGELYJQE-UUZOTWKZSA-K. The full InChI is InChI=1S/C21H19ClN4O3.C13H13N3O2.C8H6ClNO.3HI.V/c1-13-11-15(5-8-18(13)22)26-21(28)25-14-3-6-16(7-4-14)29-17-9-10-24-19(12-17)20(27)23-2;1-15-13(17)12-8-11(6-7-16-12)18-10-4-2-9(14)3-5-10;1-6-4-7(10-5-11)2-3-8(6)9;;;;/h3-12H,1-2H3,(H,23,27)(H2,25,26,28);2-8H,14H2,1H3,(H,15,17);2-4H,1H3;3*1H;/q;;;;;;+3/p-3/i2D3;1D3;;;;;.
What are the key properties of 4-(4-aminophenoxy)-N-(trideuteriomethyl)pyridine-2-carboxamide;1-chloro-4-isocyanato-2-methylbenzene;4-[4-[(4-chloro-3-methylphenyl)carbamoylamino]phenoxy]-N-(trideuteriomethyl)pyridine-2-carboxamide;triiodovanadium?
4-(4-aminophenoxy)-N-(trideuteriomethyl)pyridine-2-carboxamide;1-chloro-4-isocyanato-2-methylbenzene;4-[4-[(4-chloro-3-methylphenyl)carbamoylamino]phenoxy]-N-(trideuteriomethyl)pyridine-2-carboxamide;triiodovanadium has a molecular weight of 1259.41 g/mol, XLogP of 11.93, 11 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-aminophenoxy)-N-(trideuteriomethyl)pyridine-2-carboxamide;1-chloro-4-isocyanato-2-methylbenzene;4-[4-[(4-chloro-3-methylphenyl)carbamoylamino]phenoxy]-N-(trideuteriomethyl)pyridine-2-carboxamide;triiodovanadium is sourced from PubChem (CID 162059136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).