N,N'-diethyl-N,N'-bis[6-(3,4,5-trimethoxyphenyl)-3-pyridinyl]ethane-1,2-diamine

C34H42N4O6 — CID 10234367

IUPACN,N'-diethyl-N,N'-bis[6-(3,4,5-trimethoxyphenyl)-3-pyridinyl]ethane-1,2-diamine
SMILESCCN(CCN(CC)c1ccc(-c2cc(OC)c(OC)c(OC)c2)nc1)c1ccc(-c2cc(OC)c(OC)c(OC)c2)nc1
InChIInChI=1S/C34H42N4O6/c1-9-37(25-11-13-27(35-21-25)23-17-29(39-3)33(43-7)30(18-23)40-4)15-16-38(10-2)26-12-14-28(36-22-26)24-19-31(41-5)34(44-8)32(20-24)42-6/h11-14,17-22H,9-10,15-16H2,1-8H3
InChIKeyNBHOHNOUBNXZET-UHFFFAOYSA-N
MW602.73 g/mol
LogP6.22
Rot. Bonds15

About N,N'-diethyl-N,N'-bis[6-(3,4,5-trimethoxyphenyl)-3-pyridinyl]ethane-1,2-diamine

N,N'-diethyl-N,N'-bis[6-(3,4,5-trimethoxyphenyl)-3-pyridinyl]ethane-1,2-diamine (PubChem CID 10234367) has the molecular formula C34H42N4O6 and a molecular weight of 602.73 g/mol. Its IUPAC name is N,N'-diethyl-N,N'-bis[6-(3,4,5-trimethoxyphenyl)-3-pyridinyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN,N'-diethyl-N,N'-bis[6-(3,4,5-trimethoxyphenyl)-3-pyridinyl]ethane-1,2-diamine
PubChem CID10234367
Molecular FormulaC34H42N4O6
Molecular Weight602.73 g/mol
Exact Mass602.31
IUPAC NameN,N'-diethyl-N,N'-bis[6-(3,4,5-trimethoxyphenyl)-3-pyridinyl]ethane-1,2-diamine
SMILESCCN(CCN(CC)c1ccc(-c2cc(OC)c(OC)c(OC)c2)nc1)c1ccc(-c2cc(OC)c(OC)c(OC)c2)nc1
InChIInChI=1S/C34H42N4O6/c1-9-37(25-11-13-27(35-21-25)23-17-29(39-3)33(43-7)30(18-23)40-4)15-16-38(10-2)26-12-14-28(36-22-26)24-19-31(41-5)34(44-8)32(20-24)42-6/h11-14,17-22H,9-10,15-16H2,1-8H3
InChIKeyNBHOHNOUBNXZET-UHFFFAOYSA-N
XLogP6.22
TPSA87.64 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds15
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500602.73
LogP ≤ 56.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Related Compounds

N,N'-diethyl-N,N'-bis[6-(3,4,5-trimethoxyphenyl)-3-pyridinyl]ethane-1,2-diamine;methanesulfonic acid
CID 10234366
N,N',2,2-tetramethyl-N,N'-bis[6-(3,4,5-trimethoxyphenyl)-3-pyridinyl]propane-1,3-diamine
CID 22485487
[4-[5-[2-[[6-(4-butanoyloxy-3,5-dimethoxyphenyl)-3-pyridinyl]-methylamino]ethyl-methylamino]-2-pyridinyl]-2,6-dimethoxyphenyl] butanoate
CID 22485497
N,N'-bis[6-[3,5-dimethoxy-4-(2,2,2-trifluoroethoxy)phenyl]-3-pyridinyl]-N,N'-dimethylethane-1,2-diamine
CID 22485489
[4-[5-[2-[[6-(3,5-dimethoxy-4-methylsulfonyloxyphenyl)-3-pyridinyl]-methylamino]ethyl-methylamino]-2-pyridinyl]-2,6-dimethoxyphenyl] methanesulfonate
CID 22933206
5-(3,4-dimethoxyphenyl)-2-(3,4,5-trimethoxyphenyl)pyridine
CID 90670581
2-N,2-N-bis[6-(3,4,5-trimethoxyphenyl)-3-pyridinyl]cyclohexane-1,2-diamine
CID 69353809
N,N'-dimethyl-2-phenylmethoxy-N,N'-bis[6-(3,4,5-trimethoxyphenyl)-3-pyridinyl]propane-1,3-diamine
CID 22485595
1,4-bis[6-(3,4,5-trimethoxyphenyl)-3-pyridinyl]piperazine
CID 22485481
N'-[6-(3,4,5-trimethoxyphenyl)-3-pyridinyl]ethane-1,2-diamine
CID 20781185
2-[2-[methyl-[6-(3,4,5-trimethoxyphenyl)-3-pyridinyl]amino]ethoxy]-2-[[methyl-[6-(3,4,5-trimethoxyphenyl)-3-pyridinyl]amino]methyl]propane-1,3-disulfonic acid
CID 90685560
3-ethylsulfanyl-6-(3,4,5-trimethoxyphenyl)pyridazine
CID 7672970

Frequently Asked Questions

What is the IUPAC name of N,N'-diethyl-N,N'-bis[6-(3,4,5-trimethoxyphenyl)-3-pyridinyl]ethane-1,2-diamine?
The IUPAC name of N,N'-diethyl-N,N'-bis[6-(3,4,5-trimethoxyphenyl)-3-pyridinyl]ethane-1,2-diamine (CID 10234367) is N,N'-diethyl-N,N'-bis[6-(3,4,5-trimethoxyphenyl)-3-pyridinyl]ethane-1,2-diamine.
What is the SMILES notation for N,N'-diethyl-N,N'-bis[6-(3,4,5-trimethoxyphenyl)-3-pyridinyl]ethane-1,2-diamine?
The canonical SMILES for N,N'-diethyl-N,N'-bis[6-(3,4,5-trimethoxyphenyl)-3-pyridinyl]ethane-1,2-diamine is CCN(CCN(CC)c1ccc(-c2cc(OC)c(OC)c(OC)c2)nc1)c1ccc(-c2cc(OC)c(OC)c(OC)c2)nc1.
What is the InChIKey of N,N'-diethyl-N,N'-bis[6-(3,4,5-trimethoxyphenyl)-3-pyridinyl]ethane-1,2-diamine?
The InChIKey is NBHOHNOUBNXZET-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H42N4O6/c1-9-37(25-11-13-27(35-21-25)23-17-29(39-3)33(43-7)30(18-23)40-4)15-16-38(10-2)26-12-14-28(36-22-26)24-19-31(41-5)34(44-8)32(20-24)42-6/h11-14,17-22H,9-10,15-16H2,1-8H3.
What are the key properties of N,N'-diethyl-N,N'-bis[6-(3,4,5-trimethoxyphenyl)-3-pyridinyl]ethane-1,2-diamine?
N,N'-diethyl-N,N'-bis[6-(3,4,5-trimethoxyphenyl)-3-pyridinyl]ethane-1,2-diamine has a molecular weight of 602.73 g/mol, XLogP of 6.22, 15 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-diethyl-N,N'-bis[6-(3,4,5-trimethoxyphenyl)-3-pyridinyl]ethane-1,2-diamine is sourced from PubChem (CID 10234367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).