4-amino-6-chloro-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide;6-chloro-4-[(2,4-dimethoxyphenyl)methylamino]-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid

C37H29Cl2F9N6O6 — CID 159800729

IUPAC4-amino-6-chloro-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide;6-chloro-4-[(2,4-dimethoxyphenyl)methylamino]-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid
SMILESCOc1ccc(CNc2cc(Cl)ncc2C(=O)Nc2ccc(C(F)(F)F)cc2)c(OC)c1.Nc1cc(Cl)ncc1C(=O)Nc1ccc(C(F)(F)F)cc1.O=C(O)C(F)(F)F
InChIInChI=1S/C22H19ClF3N3O3.C13H9ClF3N3O.C2HF3O2/c1-31-16-8-3-13(19(9-16)32-2)11-27-18-10-20(23)28-12-17(18)21(30)29-15-6-4-14(5-7-15)22(24,25)26;14-11-5-10(18)9(6-19-11)12(21)20-8-3-1-7(2-4-8)13(15,16)17;3-2(4,5)1(6)7/h3-10,12H,11H2,1-2H3,(H,27,28)(H,29,30);1-6H,(H2,18,19)(H,20,21);(H,6,7)
InChIKeyFWHOOWQOAKLZMD-UHFFFAOYSA-N
MW895.56 g/mol
LogP9.86
Rot. Bonds9

About 4-amino-6-chloro-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide;6-chloro-4-[(2,4-dimethoxyphenyl)methylamino]-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid

4-amino-6-chloro-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide;6-chloro-4-[(2,4-dimethoxyphenyl)methylamino]-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 159800729) has the molecular formula C37H29Cl2F9N6O6 and a molecular weight of 895.56 g/mol. Its IUPAC name is 4-amino-6-chloro-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide;6-chloro-4-[(2,4-dimethoxyphenyl)methylamino]-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name4-amino-6-chloro-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide;6-chloro-4-[(2,4-dimethoxyphenyl)methylamino]-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID159800729
Molecular FormulaC37H29Cl2F9N6O6
Molecular Weight895.56 g/mol
Exact Mass894.14
IUPAC Name4-amino-6-chloro-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide;6-chloro-4-[(2,4-dimethoxyphenyl)methylamino]-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid
SMILESCOc1ccc(CNc2cc(Cl)ncc2C(=O)Nc2ccc(C(F)(F)F)cc2)c(OC)c1.Nc1cc(Cl)ncc1C(=O)Nc1ccc(C(F)(F)F)cc1.O=C(O)C(F)(F)F
InChIInChI=1S/C22H19ClF3N3O3.C13H9ClF3N3O.C2HF3O2/c1-31-16-8-3-13(19(9-16)32-2)11-27-18-10-20(23)28-12-17(18)21(30)29-15-6-4-14(5-7-15)22(24,25)26;14-11-5-10(18)9(6-19-11)12(21)20-8-3-1-7(2-4-8)13(15,16)17;3-2(4,5)1(6)7/h3-10,12H,11H2,1-2H3,(H,27,28)(H,29,30);1-6H,(H2,18,19)(H,20,21);(H,6,7)
InChIKeyFWHOOWQOAKLZMD-UHFFFAOYSA-N
XLogP9.86
TPSA177.79 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500895.56
LogP ≤ 59.86
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

6-chloro-N-[[4-methoxy-2-(trifluoromethoxy)phenyl]methyl]pyridine-3-carboxamide
CID 46912248
N-[2-[bis[(2,4-dimethoxyphenyl)methyl]sulfamoyl]pyridin-4-yl]-2-chloro-5-(trifluoromethyl)pyridine-3-carboxamide
CID 146525918
6-chloro-4-[(2,4-dimethoxyphenyl)methylamino]-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 148290989
Ethyl 6-chloro-4-[(2,4-dimethoxyphenyl)methylamino]-5-fluoropyridine-3-carboxylate
CID 156117121
6-chloro-4-[[2-methoxy-4-(trifluoromethoxy)benzoyl]amino]-N-methylpyridine-3-carboxamide
CID 156880835
6-chloro-4-[(2,4-dimethoxyphenyl)methylamino]-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide;4,6-dichloro-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 158252546
7-Chloro-3-(3,5-dimethoxyphenyl)-1-ethyl-1,6-naphthyridin-2-one;6-chloro-4-(2,2,2-trifluoroethylamino)pyridine-3-carbaldehyde;methane;methyl 2-(3,5-dimethoxyphenyl)acetate
CID 161149163
tert-butyl N-[12-[[2-[(6-chloropyridine-3-carbonyl)-[(2,4-dimethoxyphenyl)methyl]amino]-2-(6-chloro-3-pyridinyl)acetyl]amino]dodecyl]carbamate
CID 24862675
N-[4-[1-[1-(2,4-dimethoxyphenyl)ethylamino]ethyl]phenyl]pyridine-4-carboxamide;2,2,2-trifluoroacetic acid
CID 166223887
N-[4-[1-(2-chloro-4-fluoropyridine-3-carbonyl)piperidin-4-yl]phenyl]-3-(2,4-dimethoxyphenyl)propanamide
CID 171697456
Ethyl 6-chloro-4-((2,4-dimethoxybenzyl)amino)nicotinate
CID 118296003
Methyl 6-chloro-4-[(4-methoxyphenyl)methylamino]pyridine-3-carboxylate;methyl 4,6-dichloropyridine-3-carboxylate
CID 155368625

Frequently Asked Questions

What is the IUPAC name of 4-amino-6-chloro-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide;6-chloro-4-[(2,4-dimethoxyphenyl)methylamino]-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 4-amino-6-chloro-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide;6-chloro-4-[(2,4-dimethoxyphenyl)methylamino]-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid (CID 159800729) is 4-amino-6-chloro-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide;6-chloro-4-[(2,4-dimethoxyphenyl)methylamino]-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 4-amino-6-chloro-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide;6-chloro-4-[(2,4-dimethoxyphenyl)methylamino]-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 4-amino-6-chloro-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide;6-chloro-4-[(2,4-dimethoxyphenyl)methylamino]-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid is COc1ccc(CNc2cc(Cl)ncc2C(=O)Nc2ccc(C(F)(F)F)cc2)c(OC)c1.Nc1cc(Cl)ncc1C(=O)Nc1ccc(C(F)(F)F)cc1.O=C(O)C(F)(F)F.
What is the InChIKey of 4-amino-6-chloro-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide;6-chloro-4-[(2,4-dimethoxyphenyl)methylamino]-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is FWHOOWQOAKLZMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClF3N3O3.C13H9ClF3N3O.C2HF3O2/c1-31-16-8-3-13(19(9-16)32-2)11-27-18-10-20(23)28-12-17(18)21(30)29-15-6-4-14(5-7-15)22(24,25)26;14-11-5-10(18)9(6-19-11)12(21)20-8-3-1-7(2-4-8)13(15,16)17;3-2(4,5)1(6)7/h3-10,12H,11H2,1-2H3,(H,27,28)(H,29,30);1-6H,(H2,18,19)(H,20,21);(H,6,7).
What are the key properties of 4-amino-6-chloro-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide;6-chloro-4-[(2,4-dimethoxyphenyl)methylamino]-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid?
4-amino-6-chloro-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide;6-chloro-4-[(2,4-dimethoxyphenyl)methylamino]-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 895.56 g/mol, XLogP of 9.86, 9 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-chloro-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide;6-chloro-4-[(2,4-dimethoxyphenyl)methylamino]-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 159800729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).