4-chloro-N-methylpyridine-2-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(4-hydroxyphenyl)urea;methane;hydroiodide

C43H38Cl3F6IN8O6 — CID 157197918

IUPAC4-chloro-N-methylpyridine-2-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(4-hydroxyphenyl)urea;methane;hydroiodide
SMILESC.CNC(=O)c1cc(Cl)ccn1.CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1.I.O=C(Nc1ccc(O)cc1)Nc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C21H16ClF3N4O3.C14H10ClF3N2O2.C7H7ClN2O.CH4.HI/c1-26-19(30)18-11-15(8-9-27-18)32-14-5-2-12(3-6-14)28-20(31)29-13-4-7-17(22)16(10-13)21(23,24)25;15-12-6-3-9(7-11(12)14(16,17)18)20-13(22)19-8-1-4-10(21)5-2-8;1-9-7(11)6-4-5(8)2-3-10-6;;/h2-11H,1H3,(H,26,30)(H2,28,29,31);1-7,21H,(H2,19,20,22);2-4H,1H3,(H,9,11);1H4;1H
InChIKeyNWZCKSLRZJWNFS-UHFFFAOYSA-N
MW1110.08 g/mol
LogP12.61
Rot. Bonds8

About 4-chloro-N-methylpyridine-2-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(4-hydroxyphenyl)urea;methane;hydroiodide

4-chloro-N-methylpyridine-2-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(4-hydroxyphenyl)urea;methane;hydroiodide (PubChem CID 157197918) has the molecular formula C43H38Cl3F6IN8O6 and a molecular weight of 1110.08 g/mol. Its IUPAC name is 4-chloro-N-methylpyridine-2-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(4-hydroxyphenyl)urea;methane;hydroiodide.

Molecular Properties

Compound Name4-chloro-N-methylpyridine-2-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(4-hydroxyphenyl)urea;methane;hydroiodide
PubChem CID157197918
Molecular FormulaC43H38Cl3F6IN8O6
Molecular Weight1110.08 g/mol
Exact Mass1108.09
IUPAC Name4-chloro-N-methylpyridine-2-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(4-hydroxyphenyl)urea;methane;hydroiodide
SMILESC.CNC(=O)c1cc(Cl)ccn1.CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1.I.O=C(Nc1ccc(O)cc1)Nc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C21H16ClF3N4O3.C14H10ClF3N2O2.C7H7ClN2O.CH4.HI/c1-26-19(30)18-11-15(8-9-27-18)32-14-5-2-12(3-6-14)28-20(31)29-13-4-7-17(22)16(10-13)21(23,24)25;15-12-6-3-9(7-11(12)14(16,17)18)20-13(22)19-8-1-4-10(21)5-2-8;1-9-7(11)6-4-5(8)2-3-10-6;;/h2-11H,1H3,(H,26,30)(H2,28,29,31);1-7,21H,(H2,19,20,22);2-4H,1H3,(H,9,11);1H4;1H
InChIKeyNWZCKSLRZJWNFS-UHFFFAOYSA-N
XLogP12.61
TPSA195.70 Ų
H-Bond Donors7
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms67
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001110.08
LogP ≤ 512.61
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 4-chloro-N-methylpyridine-2-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(4-hydroxyphenyl)urea;methane;hydroiodide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-methylpyridine-2-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(4-hydroxyphenyl)urea;methane;hydroiodide?
The IUPAC name of 4-chloro-N-methylpyridine-2-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(4-hydroxyphenyl)urea;methane;hydroiodide (CID 157197918) is 4-chloro-N-methylpyridine-2-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(4-hydroxyphenyl)urea;methane;hydroiodide.
What is the SMILES notation for 4-chloro-N-methylpyridine-2-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(4-hydroxyphenyl)urea;methane;hydroiodide?
The canonical SMILES for 4-chloro-N-methylpyridine-2-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(4-hydroxyphenyl)urea;methane;hydroiodide is C.CNC(=O)c1cc(Cl)ccn1.CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1.I.O=C(Nc1ccc(O)cc1)Nc1ccc(Cl)c(C(F)(F)F)c1.
What is the InChIKey of 4-chloro-N-methylpyridine-2-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(4-hydroxyphenyl)urea;methane;hydroiodide?
The InChIKey is NWZCKSLRZJWNFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClF3N4O3.C14H10ClF3N2O2.C7H7ClN2O.CH4.HI/c1-26-19(30)18-11-15(8-9-27-18)32-14-5-2-12(3-6-14)28-20(31)29-13-4-7-17(22)16(10-13)21(23,24)25;15-12-6-3-9(7-11(12)14(16,17)18)20-13(22)19-8-1-4-10(21)5-2-8;1-9-7(11)6-4-5(8)2-3-10-6;;/h2-11H,1H3,(H,26,30)(H2,28,29,31);1-7,21H,(H2,19,20,22);2-4H,1H3,(H,9,11);1H4;1H.
What are the key properties of 4-chloro-N-methylpyridine-2-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(4-hydroxyphenyl)urea;methane;hydroiodide?
4-chloro-N-methylpyridine-2-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(4-hydroxyphenyl)urea;methane;hydroiodide has a molecular weight of 1110.08 g/mol, XLogP of 12.61, 8 rotatable bonds, 7 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-methylpyridine-2-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(4-hydroxyphenyl)urea;methane;hydroiodide is sourced from PubChem (CID 157197918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).