N,N'-bis[6-(4-fluoro-3,5-dimethoxyphenyl)-3-pyridinyl]-N,N'-dimethylethane-1,2-diamine

C30H32F2N4O4 — CID 22485597

IUPACN,N'-bis[6-(4-fluoro-3,5-dimethoxyphenyl)-3-pyridinyl]-N,N'-dimethylethane-1,2-diamine
SMILESCOc1cc(-c2ccc(N(C)CCN(C)c3ccc(-c4cc(OC)c(F)c(OC)c4)nc3)cn2)cc(OC)c1F
InChIInChI=1S/C30H32F2N4O4/c1-35(21-7-9-23(33-17-21)19-13-25(37-3)29(31)26(14-19)38-4)11-12-36(2)22-8-10-24(34-18-22)20-15-27(39-5)30(32)28(16-20)40-6/h7-10,13-18H,11-12H2,1-6H3
InChIKeyWBIKITOEPXAJDP-UHFFFAOYSA-N
MW550.61 g/mol
LogP5.70
Rot. Bonds11

About N,N'-bis[6-(4-fluoro-3,5-dimethoxyphenyl)-3-pyridinyl]-N,N'-dimethylethane-1,2-diamine

N,N'-bis[6-(4-fluoro-3,5-dimethoxyphenyl)-3-pyridinyl]-N,N'-dimethylethane-1,2-diamine (PubChem CID 22485597) has the molecular formula C30H32F2N4O4 and a molecular weight of 550.61 g/mol. Its IUPAC name is N,N'-bis[6-(4-fluoro-3,5-dimethoxyphenyl)-3-pyridinyl]-N,N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN,N'-bis[6-(4-fluoro-3,5-dimethoxyphenyl)-3-pyridinyl]-N,N'-dimethylethane-1,2-diamine
PubChem CID22485597
Molecular FormulaC30H32F2N4O4
Molecular Weight550.61 g/mol
Exact Mass550.24
IUPAC NameN,N'-bis[6-(4-fluoro-3,5-dimethoxyphenyl)-3-pyridinyl]-N,N'-dimethylethane-1,2-diamine
SMILESCOc1cc(-c2ccc(N(C)CCN(C)c3ccc(-c4cc(OC)c(F)c(OC)c4)nc3)cn2)cc(OC)c1F
InChIInChI=1S/C30H32F2N4O4/c1-35(21-7-9-23(33-17-21)19-13-25(37-3)29(31)26(14-19)38-4)11-12-36(2)22-8-10-24(34-18-22)20-15-27(39-5)30(32)28(16-20)40-6/h7-10,13-18H,11-12H2,1-6H3
InChIKeyWBIKITOEPXAJDP-UHFFFAOYSA-N
XLogP5.70
TPSA69.18 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.61
LogP ≤ 55.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

7-(3,5-Dimethoxyphenyl)-1,6-naphthyridine
CID 44142284
7-(3,5-Dimethoxyphenyl)-2-methyl-1,6-naphthyridine
CID 44434752
4-(2,4-Difluorophenyl)-8-(2,6-dimethoxyphenyl)-7-oxido-1,7-naphthyridin-7-ium
CID 24896765
3-(2,2-Dipyridin-3-ylethyl)-2-[3-(trifluoromethoxy)phenyl]pyridine
CID 66829595
1-[4-[5-(3,5-Dimethoxyphenyl)-3-pyridinyl]phenyl]piperazine
CID 118392585
N,N-dimethyl-4-[3-(3,4,5-trimethoxyphenyl)pyrazin-2-yl]aniline
CID 10959469
2-{1-(3,5-Dimethoxybenzyl)-4-[(6-fluoroquinolin-2-yl)methyl]piperazin-2-yl}ethanol
CID 23723757
3-(3,5-Dimethoxyphenyl)-7-fluoroisoquinoline
CID 25058385
3-(3,5-Dimethoxyphenyl)-7-methoxyisoquinoline
CID 44142277
3-(2,4-Dimethoxy-benzyl)-[2,3'']bipyridinyl
CID 44349013
(2S,5R)-1-[(S)-(3-methoxyphenyl)-(4-pyridin-2-ylphenyl)methyl]-2,5-dimethyl-4-prop-2-enylpiperazine
CID 46877765
1-(3-methoxyphenyl)-N-[[6-[[(3-methoxyphenyl)methyl-methylamino]methyl]-3-pyridinyl]methyl]-N-methylmethanamine
CID 127045438

Frequently Asked Questions

What is the IUPAC name of N,N'-bis[6-(4-fluoro-3,5-dimethoxyphenyl)-3-pyridinyl]-N,N'-dimethylethane-1,2-diamine?
The IUPAC name of N,N'-bis[6-(4-fluoro-3,5-dimethoxyphenyl)-3-pyridinyl]-N,N'-dimethylethane-1,2-diamine (CID 22485597) is N,N'-bis[6-(4-fluoro-3,5-dimethoxyphenyl)-3-pyridinyl]-N,N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N,N'-bis[6-(4-fluoro-3,5-dimethoxyphenyl)-3-pyridinyl]-N,N'-dimethylethane-1,2-diamine?
The canonical SMILES for N,N'-bis[6-(4-fluoro-3,5-dimethoxyphenyl)-3-pyridinyl]-N,N'-dimethylethane-1,2-diamine is COc1cc(-c2ccc(N(C)CCN(C)c3ccc(-c4cc(OC)c(F)c(OC)c4)nc3)cn2)cc(OC)c1F.
What is the InChIKey of N,N'-bis[6-(4-fluoro-3,5-dimethoxyphenyl)-3-pyridinyl]-N,N'-dimethylethane-1,2-diamine?
The InChIKey is WBIKITOEPXAJDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32F2N4O4/c1-35(21-7-9-23(33-17-21)19-13-25(37-3)29(31)26(14-19)38-4)11-12-36(2)22-8-10-24(34-18-22)20-15-27(39-5)30(32)28(16-20)40-6/h7-10,13-18H,11-12H2,1-6H3.
What are the key properties of N,N'-bis[6-(4-fluoro-3,5-dimethoxyphenyl)-3-pyridinyl]-N,N'-dimethylethane-1,2-diamine?
N,N'-bis[6-(4-fluoro-3,5-dimethoxyphenyl)-3-pyridinyl]-N,N'-dimethylethane-1,2-diamine has a molecular weight of 550.61 g/mol, XLogP of 5.70, 11 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[6-(4-fluoro-3,5-dimethoxyphenyl)-3-pyridinyl]-N,N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 22485597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).