N-[3-(trifluoromethyl)phenyl]-4-(3,4,5-trimethoxyphenyl)pyridin-2-amine

C21H19F3N2O3 — CID 10158076

IUPACN-[3-(trifluoromethyl)phenyl]-4-(3,4,5-trimethoxyphenyl)pyridin-2-amine
SMILESCOc1cc(-c2ccnc(Nc3cccc(C(F)(F)F)c3)c2)cc(OC)c1OC
InChIInChI=1S/C21H19F3N2O3/c1-27-17-9-14(10-18(28-2)20(17)29-3)13-7-8-25-19(11-13)26-16-6-4-5-15(12-16)21(22,23)24/h4-12H,1-3H3,(H,25,26)
InChIKeyBLWPGZBROJSGON-UHFFFAOYSA-N
MW404.39 g/mol
LogP5.54
Rot. Bonds6

About N-[3-(trifluoromethyl)phenyl]-4-(3,4,5-trimethoxyphenyl)pyridin-2-amine

N-[3-(trifluoromethyl)phenyl]-4-(3,4,5-trimethoxyphenyl)pyridin-2-amine (PubChem CID 10158076) has the molecular formula C21H19F3N2O3 and a molecular weight of 404.39 g/mol. Its IUPAC name is N-[3-(trifluoromethyl)phenyl]-4-(3,4,5-trimethoxyphenyl)pyridin-2-amine.

Molecular Properties

Compound NameN-[3-(trifluoromethyl)phenyl]-4-(3,4,5-trimethoxyphenyl)pyridin-2-amine
PubChem CID10158076
Molecular FormulaC21H19F3N2O3
Molecular Weight404.39 g/mol
Exact Mass404.13
IUPAC NameN-[3-(trifluoromethyl)phenyl]-4-(3,4,5-trimethoxyphenyl)pyridin-2-amine
SMILESCOc1cc(-c2ccnc(Nc3cccc(C(F)(F)F)c3)c2)cc(OC)c1OC
InChIInChI=1S/C21H19F3N2O3/c1-27-17-9-14(10-18(28-2)20(17)29-3)13-7-8-25-19(11-13)26-16-6-4-5-15(12-16)21(22,23)24/h4-12H,1-3H3,(H,25,26)
InChIKeyBLWPGZBROJSGON-UHFFFAOYSA-N
XLogP5.54
TPSA52.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.39
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[3-(trifluoromethyl)phenyl]-4-(3,4,5-trimethoxyphenyl)pyridin-2-amine with MolForge

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

Launch Full Analysis

Related Compounds

2-N,4-N-bis[3-(trifluoromethyl)phenyl]pyridine-2,4-diamine
CID 11696916
N-(4-ethylphenyl)-4-[3-(trifluoromethyl)phenyl]pyridin-2-amine
CID 44605400
4-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)-N-[3-(trifluoromethyl)phenyl]pyridin-2-amine
CID 68663950
7,8-dimethoxy-N-[3-(trifluoromethyl)phenyl]quinazolin-4-amine
CID 110434448
5-(4-methoxy-3-pyridin-4-yl-2-pyridinyl)-N-[3-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-amine
CID 24958273
2-N-[4-(trifluoromethyl)phenyl]-4-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine
CID 117091406
2-N-[2-(4-methoxyphenyl)ethyl]-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 112895537
N-(2-methoxyethyl)-2-[3-(trifluoromethyl)anilino]pyridine-4-carboxamide
CID 109166817
1-[3-(trifluoromethyl)phenyl]-3-[4-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]phenyl]urea
CID 59343431
3-[3-(trifluoromethyl)anilino]-2-(3,4,5-trimethoxyphenyl)-5H-imidazo[1,2-b]pyrazole-7-carbonitrile
CID 67284781
4-methoxy-3-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]pyridine
CID 134628417
4-N-(3-methoxyphenyl)-2-methyl-6-N-[3-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 112878340

Frequently Asked Questions

What is the IUPAC name of N-[3-(trifluoromethyl)phenyl]-4-(3,4,5-trimethoxyphenyl)pyridin-2-amine?
The IUPAC name of N-[3-(trifluoromethyl)phenyl]-4-(3,4,5-trimethoxyphenyl)pyridin-2-amine (CID 10158076) is N-[3-(trifluoromethyl)phenyl]-4-(3,4,5-trimethoxyphenyl)pyridin-2-amine.
What is the SMILES notation for N-[3-(trifluoromethyl)phenyl]-4-(3,4,5-trimethoxyphenyl)pyridin-2-amine?
The canonical SMILES for N-[3-(trifluoromethyl)phenyl]-4-(3,4,5-trimethoxyphenyl)pyridin-2-amine is COc1cc(-c2ccnc(Nc3cccc(C(F)(F)F)c3)c2)cc(OC)c1OC.
What is the InChIKey of N-[3-(trifluoromethyl)phenyl]-4-(3,4,5-trimethoxyphenyl)pyridin-2-amine?
The InChIKey is BLWPGZBROJSGON-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F3N2O3/c1-27-17-9-14(10-18(28-2)20(17)29-3)13-7-8-25-19(11-13)26-16-6-4-5-15(12-16)21(22,23)24/h4-12H,1-3H3,(H,25,26).
What are the key properties of N-[3-(trifluoromethyl)phenyl]-4-(3,4,5-trimethoxyphenyl)pyridin-2-amine?
N-[3-(trifluoromethyl)phenyl]-4-(3,4,5-trimethoxyphenyl)pyridin-2-amine has a molecular weight of 404.39 g/mol, XLogP of 5.54, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(trifluoromethyl)phenyl]-4-(3,4,5-trimethoxyphenyl)pyridin-2-amine is sourced from PubChem (CID 10158076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).