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

C30H34N4O4 — CID 10118567

IUPACN,N'-bis[6-(2,4-dimethoxyphenyl)-3-pyridinyl]-N,N'-dimethylethane-1,2-diamine
SMILESCOc1ccc(-c2ccc(N(C)CCN(C)c3ccc(-c4ccc(OC)cc4OC)nc3)cn2)c(OC)c1
InChIInChI=1S/C30H34N4O4/c1-33(21-7-13-27(31-19-21)25-11-9-23(35-3)17-29(25)37-5)15-16-34(2)22-8-14-28(32-20-22)26-12-10-24(36-4)18-30(26)38-6/h7-14,17-20H,15-16H2,1-6H3
InChIKeyWTXBSEQNLYUUSU-UHFFFAOYSA-N
MW514.63 g/mol
LogP5.42
Rot. Bonds11

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

N,N'-bis[6-(2,4-dimethoxyphenyl)-3-pyridinyl]-N,N'-dimethylethane-1,2-diamine (PubChem CID 10118567) has the molecular formula C30H34N4O4 and a molecular weight of 514.63 g/mol. Its IUPAC name is N,N'-bis[6-(2,4-dimethoxyphenyl)-3-pyridinyl]-N,N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN,N'-bis[6-(2,4-dimethoxyphenyl)-3-pyridinyl]-N,N'-dimethylethane-1,2-diamine
PubChem CID10118567
Molecular FormulaC30H34N4O4
Molecular Weight514.63 g/mol
Exact Mass514.26
IUPAC NameN,N'-bis[6-(2,4-dimethoxyphenyl)-3-pyridinyl]-N,N'-dimethylethane-1,2-diamine
SMILESCOc1ccc(-c2ccc(N(C)CCN(C)c3ccc(-c4ccc(OC)cc4OC)nc3)cn2)c(OC)c1
InChIInChI=1S/C30H34N4O4/c1-33(21-7-13-27(31-19-21)25-11-9-23(35-3)17-29(25)37-5)15-16-34(2)22-8-14-28(32-20-22)26-12-10-24(36-4)18-30(26)38-6/h7-14,17-20H,15-16H2,1-6H3
InChIKeyWTXBSEQNLYUUSU-UHFFFAOYSA-N
XLogP5.42
TPSA69.18 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.63
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

(3E)-3-((2,4-Dimethoxyphenyl)methylene)-3,4,5,6-tetrahydro-2,3'-bipyridine
CID 5310985
4-[(E)-5,6-Dihydro-2,3'-bipyridin-3(4H)-ylidenemethyl]-3-methoxyphenol
CID 135508231
3-(2-Hydroxy-4-methoxybenzylidene)anabaseine
CID 135524501
5,7-Dimethoxy-3-(4-pyridinyl)quinoline
CID 3139
Ldn-214117
CID 91754554
3-(2,4,6-Trimethoxybenzylidene)anabaseine
CID 11595246
4-(2,4-Difluorophenyl)-8-(2,6-dimethoxyphenyl)-7-oxido-1,7-naphthyridin-7-ium
CID 24896765
3-(2,4-Dimethoxybenzyl)-3,4,5,6-tetrahydro-2,3'-bipyridine
CID 46907472
6-(2,6-Dimethoxyphenyl)-1-((2-phenylpyridin-4-yl)methyl)piperidin-2-one
CID 69080156
2,6-Bis(2,4-dimethoxyphenyl)pyridine
CID 90670569
2,4-Bis(3,4,5-trimethoxyphenyl)pyridine
CID 90670570
2-(2,4-Dimethoxyphenyl)-6-(4-methoxyphenyl)pyridine
CID 90670580

Frequently Asked Questions

What is the IUPAC name of N,N'-bis[6-(2,4-dimethoxyphenyl)-3-pyridinyl]-N,N'-dimethylethane-1,2-diamine?
The IUPAC name of N,N'-bis[6-(2,4-dimethoxyphenyl)-3-pyridinyl]-N,N'-dimethylethane-1,2-diamine (CID 10118567) is N,N'-bis[6-(2,4-dimethoxyphenyl)-3-pyridinyl]-N,N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N,N'-bis[6-(2,4-dimethoxyphenyl)-3-pyridinyl]-N,N'-dimethylethane-1,2-diamine?
The canonical SMILES for N,N'-bis[6-(2,4-dimethoxyphenyl)-3-pyridinyl]-N,N'-dimethylethane-1,2-diamine is COc1ccc(-c2ccc(N(C)CCN(C)c3ccc(-c4ccc(OC)cc4OC)nc3)cn2)c(OC)c1.
What is the InChIKey of N,N'-bis[6-(2,4-dimethoxyphenyl)-3-pyridinyl]-N,N'-dimethylethane-1,2-diamine?
The InChIKey is WTXBSEQNLYUUSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N4O4/c1-33(21-7-13-27(31-19-21)25-11-9-23(35-3)17-29(25)37-5)15-16-34(2)22-8-14-28(32-20-22)26-12-10-24(36-4)18-30(26)38-6/h7-14,17-20H,15-16H2,1-6H3.
What are the key properties of N,N'-bis[6-(2,4-dimethoxyphenyl)-3-pyridinyl]-N,N'-dimethylethane-1,2-diamine?
N,N'-bis[6-(2,4-dimethoxyphenyl)-3-pyridinyl]-N,N'-dimethylethane-1,2-diamine has a molecular weight of 514.63 g/mol, XLogP of 5.42, 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-(2,4-dimethoxyphenyl)-3-pyridinyl]-N,N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 10118567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).