2-N-methyl-6-N-[4-(4-methylphenyl)phenyl]-2-N,6-N-bis[4-(trifluoromethyl)phenyl]pyridine-2,6-diamine

C33H25F6N3 — CID 23593349

IUPAC2-N-methyl-6-N-[4-(4-methylphenyl)phenyl]-2-N,6-N-bis[4-(trifluoromethyl)phenyl]pyridine-2,6-diamine
SMILESCc1ccc(-c2ccc(N(c3ccc(C(F)(F)F)cc3)c3cccc(N(C)c4ccc(C(F)(F)F)cc4)n3)cc2)cc1
InChIInChI=1S/C33H25F6N3/c1-22-6-8-23(9-7-22)24-10-16-28(17-11-24)42(29-20-14-26(15-21-29)33(37,38)39)31-5-3-4-30(40-31)41(2)27-18-12-25(13-19-27)32(34,35)36/h3-21H,1-2H3
InChIKeyRQITWXAEIWZVPT-UHFFFAOYSA-N
MW577.57 g/mol
LogP10.33
Rot. Bonds6

About 2-N-methyl-6-N-[4-(4-methylphenyl)phenyl]-2-N,6-N-bis[4-(trifluoromethyl)phenyl]pyridine-2,6-diamine

2-N-methyl-6-N-[4-(4-methylphenyl)phenyl]-2-N,6-N-bis[4-(trifluoromethyl)phenyl]pyridine-2,6-diamine (PubChem CID 23593349) has the molecular formula C33H25F6N3 and a molecular weight of 577.57 g/mol. Its IUPAC name is 2-N-methyl-6-N-[4-(4-methylphenyl)phenyl]-2-N,6-N-bis[4-(trifluoromethyl)phenyl]pyridine-2,6-diamine.

Molecular Properties

Compound Name2-N-methyl-6-N-[4-(4-methylphenyl)phenyl]-2-N,6-N-bis[4-(trifluoromethyl)phenyl]pyridine-2,6-diamine
PubChem CID23593349
Molecular FormulaC33H25F6N3
Molecular Weight577.57 g/mol
Exact Mass577.20
IUPAC Name2-N-methyl-6-N-[4-(4-methylphenyl)phenyl]-2-N,6-N-bis[4-(trifluoromethyl)phenyl]pyridine-2,6-diamine
SMILESCc1ccc(-c2ccc(N(c3ccc(C(F)(F)F)cc3)c3cccc(N(C)c4ccc(C(F)(F)F)cc4)n3)cc2)cc1
InChIInChI=1S/C33H25F6N3/c1-22-6-8-23(9-7-22)24-10-16-28(17-11-24)42(29-20-14-26(15-21-29)33(37,38)39)31-5-3-4-30(40-31)41(2)27-18-12-25(13-19-27)32(34,35)36/h3-21H,1-2H3
InChIKeyRQITWXAEIWZVPT-UHFFFAOYSA-N
XLogP10.33
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500577.57
LogP ≤ 510.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-N-methyl-6-N-[4-(4-methylphenyl)phenyl]-2-N,6-N-bis[4-(trifluoromethyl)phenyl]pyridine-2,6-diamine 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

N,N-dimethyl-2-[4-[6-(4-phenylphenyl)-2-pyridinyl]piperazin-1-yl]ethanamine
CID 155543403
6-(2,4-difluorophenyl)-N-[6-(2,4-difluorophenyl)-2-pyridinyl]-N-phenylpyridin-2-amine
CID 23135815
2-[Benzyl(methyl)amino]-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 71732417
4-(2,2-difluoro-4,10,12-triphenyl-3,8-diaza-1-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-1(12),4,6,8,10-pentaen-6-yl)-N,N-dimethylaniline
CID 102184376
4-[(E)-2-[4-[4,6-bis[4-[(E)-2-[4-[4-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-N-[4-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)phenyl]anilino]phenyl]ethenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]ethenyl]-N,N-bis[4-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)phenyl]aniline
CID 102416899
2-N,2-N,6-N,6-N-tetrakis[(2,3,4,5,6-pentafluorophenyl)methyl]pyridine-2,6-diamine
CID 123336608
2-[Benzyl(ethyl)amino]-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 135072973
2-(Dibenzylamino)-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 135072974
4-[1-difluoroboranyl-5-[(Z)-[5-[4-(dimethylamino)phenyl]-3-phenylpyrrol-2-ylidene]amino]-4-phenylpyrrol-2-yl]-N,N-dimethylaniline
CID 139250074
N-[4-[(E)-2-[4-[4,6-bis[4-[(E)-2-[4-[4-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-N-[4-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)phenyl]anilino]phenyl]ethenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]ethenyl]phenyl]-3-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-N-[4-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)phenyl]aniline
CID 139251198
N-[2-(adamantan-1-yl)ethyl]-6-(trifluoromethyl)-N-[6-(trifluoromethyl)pyridin-2-yl]pyridin-2-amine
CID 155921261
N-[2-(adamantan-2-yl)ethyl]-6-(trifluoromethyl)-N-[6-(trifluoromethyl)pyridin-2-yl]pyridin-2-amine
CID 155921264

Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-6-N-[4-(4-methylphenyl)phenyl]-2-N,6-N-bis[4-(trifluoromethyl)phenyl]pyridine-2,6-diamine?
The IUPAC name of 2-N-methyl-6-N-[4-(4-methylphenyl)phenyl]-2-N,6-N-bis[4-(trifluoromethyl)phenyl]pyridine-2,6-diamine (CID 23593349) is 2-N-methyl-6-N-[4-(4-methylphenyl)phenyl]-2-N,6-N-bis[4-(trifluoromethyl)phenyl]pyridine-2,6-diamine.
What is the SMILES notation for 2-N-methyl-6-N-[4-(4-methylphenyl)phenyl]-2-N,6-N-bis[4-(trifluoromethyl)phenyl]pyridine-2,6-diamine?
The canonical SMILES for 2-N-methyl-6-N-[4-(4-methylphenyl)phenyl]-2-N,6-N-bis[4-(trifluoromethyl)phenyl]pyridine-2,6-diamine is Cc1ccc(-c2ccc(N(c3ccc(C(F)(F)F)cc3)c3cccc(N(C)c4ccc(C(F)(F)F)cc4)n3)cc2)cc1.
What is the InChIKey of 2-N-methyl-6-N-[4-(4-methylphenyl)phenyl]-2-N,6-N-bis[4-(trifluoromethyl)phenyl]pyridine-2,6-diamine?
The InChIKey is RQITWXAEIWZVPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H25F6N3/c1-22-6-8-23(9-7-22)24-10-16-28(17-11-24)42(29-20-14-26(15-21-29)33(37,38)39)31-5-3-4-30(40-31)41(2)27-18-12-25(13-19-27)32(34,35)36/h3-21H,1-2H3.
What are the key properties of 2-N-methyl-6-N-[4-(4-methylphenyl)phenyl]-2-N,6-N-bis[4-(trifluoromethyl)phenyl]pyridine-2,6-diamine?
2-N-methyl-6-N-[4-(4-methylphenyl)phenyl]-2-N,6-N-bis[4-(trifluoromethyl)phenyl]pyridine-2,6-diamine has a molecular weight of 577.57 g/mol, XLogP of 10.33, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-6-N-[4-(4-methylphenyl)phenyl]-2-N,6-N-bis[4-(trifluoromethyl)phenyl]pyridine-2,6-diamine is sourced from PubChem (CID 23593349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).