5-N-[2-[3,5-bis(trifluoromethyl)phenyl]-2-methylpropyl]-4-(2-chlorophenyl)-2-N,2-N-dimethylpyridine-2,5-diamine

C25H24ClF6N3 — CID 151364575

IUPAC5-N-[2-[3,5-bis(trifluoromethyl)phenyl]-2-methylpropyl]-4-(2-chlorophenyl)-2-N,2-N-dimethylpyridine-2,5-diamine
SMILESCN(C)c1cc(-c2ccccc2Cl)c(NCC(C)(C)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cn1
InChIInChI=1S/C25H24ClF6N3/c1-23(2,15-9-16(24(27,28)29)11-17(10-15)25(30,31)32)14-34-21-13-33-22(35(3)4)12-19(21)18-7-5-6-8-20(18)26/h5-13,34H,14H2,1-4H3
InChIKeyWWHXHURLNYOBMV-UHFFFAOYSA-N
MW515.93 g/mol
LogP7.90
Rot. Bonds6

About 5-N-[2-[3,5-bis(trifluoromethyl)phenyl]-2-methylpropyl]-4-(2-chlorophenyl)-2-N,2-N-dimethylpyridine-2,5-diamine

5-N-[2-[3,5-bis(trifluoromethyl)phenyl]-2-methylpropyl]-4-(2-chlorophenyl)-2-N,2-N-dimethylpyridine-2,5-diamine (PubChem CID 151364575) has the molecular formula C25H24ClF6N3 and a molecular weight of 515.93 g/mol. Its IUPAC name is 5-N-[2-[3,5-bis(trifluoromethyl)phenyl]-2-methylpropyl]-4-(2-chlorophenyl)-2-N,2-N-dimethylpyridine-2,5-diamine.

Molecular Properties

Compound Name5-N-[2-[3,5-bis(trifluoromethyl)phenyl]-2-methylpropyl]-4-(2-chlorophenyl)-2-N,2-N-dimethylpyridine-2,5-diamine
PubChem CID151364575
Molecular FormulaC25H24ClF6N3
Molecular Weight515.93 g/mol
Exact Mass515.16
IUPAC Name5-N-[2-[3,5-bis(trifluoromethyl)phenyl]-2-methylpropyl]-4-(2-chlorophenyl)-2-N,2-N-dimethylpyridine-2,5-diamine
SMILESCN(C)c1cc(-c2ccccc2Cl)c(NCC(C)(C)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cn1
InChIInChI=1S/C25H24ClF6N3/c1-23(2,15-9-16(24(27,28)29)11-17(10-15)25(30,31)32)14-34-21-13-33-22(35(3)4)12-19(21)18-7-5-6-8-20(18)26/h5-13,34H,14H2,1-4H3
InChIKeyWWHXHURLNYOBMV-UHFFFAOYSA-N
XLogP7.90
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.93
LogP ≤ 57.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-chlorophenyl)-N-(2,2,2-trifluoroethyl)pyridin-3-amine
CID 70663252
2-[3,5-bis(trifluoromethyl)phenyl]-N-[4-(2-chlorophenyl)-6-[[(2R)-1-hydroxypropan-2-yl]amino]-3-pyridinyl]-N,2-dimethylpropanamide
CID 87304259
1-[3,5-bis(trifluoromethyl)phenyl]-N-[[4-(2-chlorophenyl)-6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-N-methylmethanamine;trihydrochloride
CID 139839682
2-[3,5-bis(trifluoromethyl)phenyl]-N-[4-(2-chlorophenyl)-6-(2-hydroxyethoxy)-3-pyridinyl]-N,2-dimethylpropanamide
CID 11584906
2-chloro-N-[2-[6-(dimethylamino)-4-(trifluoromethyl)-2-pyridinyl]phenyl]benzamide
CID 71628646
2-[3,5-bis(trifluoromethyl)phenyl]-N-[[2-(2-chlorophenyl)phenyl]methyl]-2-methylpropanamide
CID 57031934
2-[3,5-bis(trifluoromethyl)phenyl]-N-[4-(2-chlorophenyl)-6-[[(2R,3S)-1,3-dihydroxybutan-2-yl]amino]-3-pyridinyl]-N,2-dimethylpropanamide
CID 87304511
2-[3,5-bis(trifluoromethyl)phenyl]-N-[4-(2-chlorophenyl)-6-[[(2S,3R)-1,3-dihydroxybutan-2-yl]amino]-3-pyridinyl]-N,2-dimethylpropanamide
CID 87305282
N-[6-[4-acetamido-2-(hydroxymethyl)pyrrolidin-1-yl]-4-(2-chlorophenyl)-3-pyridinyl]-2-[3,5-bis(trifluoromethyl)phenyl]-N,2-dimethylpropanamide
CID 11239232
N-[6-(4-acetylpiperazin-1-yl)-4-(2-chlorophenyl)-3-pyridinyl]-2-[3,5-bis(trifluoromethyl)phenyl]-N,2-dimethylpropanamide
CID 11227422
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-(2-chlorophenyl)-N-methyl-2-methylsulfonylpyrimidine-5-carboxamide
CID 54009887
3-chloro-N,N-dimethyl-5-(trifluoromethyl)pyridin-2-amine
CID 14933767

Frequently Asked Questions

What is the IUPAC name of 5-N-[2-[3,5-bis(trifluoromethyl)phenyl]-2-methylpropyl]-4-(2-chlorophenyl)-2-N,2-N-dimethylpyridine-2,5-diamine?
The IUPAC name of 5-N-[2-[3,5-bis(trifluoromethyl)phenyl]-2-methylpropyl]-4-(2-chlorophenyl)-2-N,2-N-dimethylpyridine-2,5-diamine (CID 151364575) is 5-N-[2-[3,5-bis(trifluoromethyl)phenyl]-2-methylpropyl]-4-(2-chlorophenyl)-2-N,2-N-dimethylpyridine-2,5-diamine.
What is the SMILES notation for 5-N-[2-[3,5-bis(trifluoromethyl)phenyl]-2-methylpropyl]-4-(2-chlorophenyl)-2-N,2-N-dimethylpyridine-2,5-diamine?
The canonical SMILES for 5-N-[2-[3,5-bis(trifluoromethyl)phenyl]-2-methylpropyl]-4-(2-chlorophenyl)-2-N,2-N-dimethylpyridine-2,5-diamine is CN(C)c1cc(-c2ccccc2Cl)c(NCC(C)(C)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cn1.
What is the InChIKey of 5-N-[2-[3,5-bis(trifluoromethyl)phenyl]-2-methylpropyl]-4-(2-chlorophenyl)-2-N,2-N-dimethylpyridine-2,5-diamine?
The InChIKey is WWHXHURLNYOBMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClF6N3/c1-23(2,15-9-16(24(27,28)29)11-17(10-15)25(30,31)32)14-34-21-13-33-22(35(3)4)12-19(21)18-7-5-6-8-20(18)26/h5-13,34H,14H2,1-4H3.
What are the key properties of 5-N-[2-[3,5-bis(trifluoromethyl)phenyl]-2-methylpropyl]-4-(2-chlorophenyl)-2-N,2-N-dimethylpyridine-2,5-diamine?
5-N-[2-[3,5-bis(trifluoromethyl)phenyl]-2-methylpropyl]-4-(2-chlorophenyl)-2-N,2-N-dimethylpyridine-2,5-diamine has a molecular weight of 515.93 g/mol, XLogP of 7.90, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[2-[3,5-bis(trifluoromethyl)phenyl]-2-methylpropyl]-4-(2-chlorophenyl)-2-N,2-N-dimethylpyridine-2,5-diamine is sourced from PubChem (CID 151364575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).