6-chloro-N,N-bis[(4-methoxyphenyl)methyl]-4-methyl-5-(trifluoromethyl)pyridin-2-amine;2-chloro-6-[2-(4-methoxyphenyl)ethyl]-4-methyl-3-(trifluoromethyl)pyridine;6-chloro-4-methyl-5-(trifluoromethyl)pyridin-2-amine;methane

C49H55Cl3F9N5O3 — CID 163567719

IUPAC6-chloro-N,N-bis[(4-methoxyphenyl)methyl]-4-methyl-5-(trifluoromethyl)pyridin-2-amine;2-chloro-6-[2-(4-methoxyphenyl)ethyl]-4-methyl-3-(trifluoromethyl)pyridine;6-chloro-4-methyl-5-(trifluoromethyl)pyridin-2-amine;methane
SMILESC.C.C.COc1ccc(CCc2cc(C)c(C(F)(F)F)c(Cl)n2)cc1.COc1ccc(CN(Cc2ccc(OC)cc2)c2cc(C)c(C(F)(F)F)c(Cl)n2)cc1.Cc1cc(N)nc(Cl)c1C(F)(F)F
InChIInChI=1S/C23H22ClF3N2O2.C16H15ClF3NO.C7H6ClF3N2.3CH4/c1-15-12-20(28-22(24)21(15)23(25,26)27)29(13-16-4-8-18(30-2)9-5-16)14-17-6-10-19(31-3)11-7-17;1-10-9-12(21-15(17)14(10)16(18,19)20)6-3-11-4-7-13(22-2)8-5-11;1-3-2-4(12)13-6(8)5(3)7(9,10)11;;;/h4-12H,13-14H2,1-3H3;4-5,7-9H,3,6H2,1-2H3;2H,1H3,(H2,12,13);3*1H4
InChIKeyFWPZWXLONHNKAQ-UHFFFAOYSA-N
MW1039.35 g/mol
LogP15.69
Rot. Bonds11

About 6-chloro-N,N-bis[(4-methoxyphenyl)methyl]-4-methyl-5-(trifluoromethyl)pyridin-2-amine;2-chloro-6-[2-(4-methoxyphenyl)ethyl]-4-methyl-3-(trifluoromethyl)pyridine;6-chloro-4-methyl-5-(trifluoromethyl)pyridin-2-amine;methane

6-chloro-N,N-bis[(4-methoxyphenyl)methyl]-4-methyl-5-(trifluoromethyl)pyridin-2-amine;2-chloro-6-[2-(4-methoxyphenyl)ethyl]-4-methyl-3-(trifluoromethyl)pyridine;6-chloro-4-methyl-5-(trifluoromethyl)pyridin-2-amine;methane (PubChem CID 163567719) has the molecular formula C49H55Cl3F9N5O3 and a molecular weight of 1039.35 g/mol. Its IUPAC name is 6-chloro-N,N-bis[(4-methoxyphenyl)methyl]-4-methyl-5-(trifluoromethyl)pyridin-2-amine;2-chloro-6-[2-(4-methoxyphenyl)ethyl]-4-methyl-3-(trifluoromethyl)pyridine;6-chloro-4-methyl-5-(trifluoromethyl)pyridin-2-amine;methane.

Molecular Properties

Compound Name6-chloro-N,N-bis[(4-methoxyphenyl)methyl]-4-methyl-5-(trifluoromethyl)pyridin-2-amine;2-chloro-6-[2-(4-methoxyphenyl)ethyl]-4-methyl-3-(trifluoromethyl)pyridine;6-chloro-4-methyl-5-(trifluoromethyl)pyridin-2-amine;methane
PubChem CID163567719
Molecular FormulaC49H55Cl3F9N5O3
Molecular Weight1039.35 g/mol
Exact Mass1037.32
IUPAC Name6-chloro-N,N-bis[(4-methoxyphenyl)methyl]-4-methyl-5-(trifluoromethyl)pyridin-2-amine;2-chloro-6-[2-(4-methoxyphenyl)ethyl]-4-methyl-3-(trifluoromethyl)pyridine;6-chloro-4-methyl-5-(trifluoromethyl)pyridin-2-amine;methane
SMILESC.C.C.COc1ccc(CCc2cc(C)c(C(F)(F)F)c(Cl)n2)cc1.COc1ccc(CN(Cc2ccc(OC)cc2)c2cc(C)c(C(F)(F)F)c(Cl)n2)cc1.Cc1cc(N)nc(Cl)c1C(F)(F)F
InChIInChI=1S/C23H22ClF3N2O2.C16H15ClF3NO.C7H6ClF3N2.3CH4/c1-15-12-20(28-22(24)21(15)23(25,26)27)29(13-16-4-8-18(30-2)9-5-16)14-17-6-10-19(31-3)11-7-17;1-10-9-12(21-15(17)14(10)16(18,19)20)6-3-11-4-7-13(22-2)8-5-11;1-3-2-4(12)13-6(8)5(3)7(9,10)11;;;/h4-12H,13-14H2,1-3H3;4-5,7-9H,3,6H2,1-2H3;2H,1H3,(H2,12,13);3*1H4
InChIKeyFWPZWXLONHNKAQ-UHFFFAOYSA-N
XLogP15.69
TPSA95.62 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001039.35
LogP ≤ 515.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 6-chloro-N,N-bis[(4-methoxyphenyl)methyl]-4-methyl-5-(trifluoromethyl)pyridin-2-amine;2-chloro-6-[2-(4-methoxyphenyl)ethyl]-4-methyl-3-(trifluoromethyl)pyridine;6-chloro-4-methyl-5-(trifluoromethyl)pyridin-2-amine;methane with MolForge

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Related Compounds

4-N-[5-chloro-4-[6-[[4-(trifluoromethoxy)phenyl]methylamino]pyridin-2-yl]pyridin-2-yl]cyclohexane-1,4-diamine
CID 68405528
4-N-[5-chloro-4-[6-[[4-(difluoromethoxy)phenyl]methylamino]pyridin-2-yl]pyridin-2-yl]cyclohexane-1,4-diamine
CID 68405530
N-[(1S)-5-[3-chloro-4-[6-methoxy-5-(methylaminomethyl)-2-pyridinyl]-2-pyridinyl]-1,2,3,4-tetrahydronaphthalen-1-yl]-6-methoxy-5-(methylaminomethyl)-3-(trifluoromethyl)pyridin-2-amine
CID 170696640
1-[5-Chloro-6-(trifluoromethyl)pyridin-2-yl]-4-[(4-methoxy-3-methylphenyl)methyl]piperazine
CID 23542054
6-[2-[(4-aminocyclohexyl)methyl]-5-chloro-4-pyridinyl]-N-[[4-(difluoromethoxy)phenyl]methyl]pyridin-2-amine
CID 58127340
6-[2-[(4-aminocyclohexyl)methyl]-5-chloro-4-pyridinyl]-N-[[4-(trifluoromethoxy)phenyl]methyl]pyridin-2-amine
CID 58127345
N,N-Bis-(4-methoxybenzyl)-(6-chloro-5-trifluoromethylpyridine-2-yl)amine
CID 86605106
5-chloro-N-cyclohexyl-4-[6-[[4-(difluoromethoxy)phenyl]methylamino]pyridin-2-yl]pyridin-2-amine
CID 117969840
5-chloro-N-cyclohexyl-4-[6-[[4-(trifluoromethoxy)phenyl]methylamino]pyridin-2-yl]pyridin-2-amine
CID 123861243
1-[6-[bis[(4-methoxyphenyl)methyl]amino]-4-methyl-2-propan-2-yl-3-pyridinyl]-6-chloro-7-(2-fluorophenyl)-4-[(2S)-2-methylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one
CID 146236065
1-[6-[Bis[(4-methoxyphenyl)methyl]amino]-4-methyl-2-propan-2-yl-3-pyridinyl]-6-chloro-7-(2-fluorophenyl)-4-(2-methylpiperazin-1-yl)pyrido[2,3-d]pyrimidin-2-one
CID 146236066
6-chloro-N,N-bis(4-methoxybenzyl)-4-methyl-5-(trifluoromethyl)pyridin-2-amine
CID 146389859

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N,N-bis[(4-methoxyphenyl)methyl]-4-methyl-5-(trifluoromethyl)pyridin-2-amine;2-chloro-6-[2-(4-methoxyphenyl)ethyl]-4-methyl-3-(trifluoromethyl)pyridine;6-chloro-4-methyl-5-(trifluoromethyl)pyridin-2-amine;methane?
The IUPAC name of 6-chloro-N,N-bis[(4-methoxyphenyl)methyl]-4-methyl-5-(trifluoromethyl)pyridin-2-amine;2-chloro-6-[2-(4-methoxyphenyl)ethyl]-4-methyl-3-(trifluoromethyl)pyridine;6-chloro-4-methyl-5-(trifluoromethyl)pyridin-2-amine;methane (CID 163567719) is 6-chloro-N,N-bis[(4-methoxyphenyl)methyl]-4-methyl-5-(trifluoromethyl)pyridin-2-amine;2-chloro-6-[2-(4-methoxyphenyl)ethyl]-4-methyl-3-(trifluoromethyl)pyridine;6-chloro-4-methyl-5-(trifluoromethyl)pyridin-2-amine;methane.
What is the SMILES notation for 6-chloro-N,N-bis[(4-methoxyphenyl)methyl]-4-methyl-5-(trifluoromethyl)pyridin-2-amine;2-chloro-6-[2-(4-methoxyphenyl)ethyl]-4-methyl-3-(trifluoromethyl)pyridine;6-chloro-4-methyl-5-(trifluoromethyl)pyridin-2-amine;methane?
The canonical SMILES for 6-chloro-N,N-bis[(4-methoxyphenyl)methyl]-4-methyl-5-(trifluoromethyl)pyridin-2-amine;2-chloro-6-[2-(4-methoxyphenyl)ethyl]-4-methyl-3-(trifluoromethyl)pyridine;6-chloro-4-methyl-5-(trifluoromethyl)pyridin-2-amine;methane is C.C.C.COc1ccc(CCc2cc(C)c(C(F)(F)F)c(Cl)n2)cc1.COc1ccc(CN(Cc2ccc(OC)cc2)c2cc(C)c(C(F)(F)F)c(Cl)n2)cc1.Cc1cc(N)nc(Cl)c1C(F)(F)F.
What is the InChIKey of 6-chloro-N,N-bis[(4-methoxyphenyl)methyl]-4-methyl-5-(trifluoromethyl)pyridin-2-amine;2-chloro-6-[2-(4-methoxyphenyl)ethyl]-4-methyl-3-(trifluoromethyl)pyridine;6-chloro-4-methyl-5-(trifluoromethyl)pyridin-2-amine;methane?
The InChIKey is FWPZWXLONHNKAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClF3N2O2.C16H15ClF3NO.C7H6ClF3N2.3CH4/c1-15-12-20(28-22(24)21(15)23(25,26)27)29(13-16-4-8-18(30-2)9-5-16)14-17-6-10-19(31-3)11-7-17;1-10-9-12(21-15(17)14(10)16(18,19)20)6-3-11-4-7-13(22-2)8-5-11;1-3-2-4(12)13-6(8)5(3)7(9,10)11;;;/h4-12H,13-14H2,1-3H3;4-5,7-9H,3,6H2,1-2H3;2H,1H3,(H2,12,13);3*1H4.
What are the key properties of 6-chloro-N,N-bis[(4-methoxyphenyl)methyl]-4-methyl-5-(trifluoromethyl)pyridin-2-amine;2-chloro-6-[2-(4-methoxyphenyl)ethyl]-4-methyl-3-(trifluoromethyl)pyridine;6-chloro-4-methyl-5-(trifluoromethyl)pyridin-2-amine;methane?
6-chloro-N,N-bis[(4-methoxyphenyl)methyl]-4-methyl-5-(trifluoromethyl)pyridin-2-amine;2-chloro-6-[2-(4-methoxyphenyl)ethyl]-4-methyl-3-(trifluoromethyl)pyridine;6-chloro-4-methyl-5-(trifluoromethyl)pyridin-2-amine;methane has a molecular weight of 1039.35 g/mol, XLogP of 15.69, 11 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N,N-bis[(4-methoxyphenyl)methyl]-4-methyl-5-(trifluoromethyl)pyridin-2-amine;2-chloro-6-[2-(4-methoxyphenyl)ethyl]-4-methyl-3-(trifluoromethyl)pyridine;6-chloro-4-methyl-5-(trifluoromethyl)pyridin-2-amine;methane is sourced from PubChem (CID 163567719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).