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

C30H34N4O4 — CID 22485577

IUPACN,N'-bis[6-(2,6-dimethoxyphenyl)-3-pyridinyl]-N,N'-dimethylethane-1,2-diamine
SMILESCOc1cccc(OC)c1-c1ccc(N(C)CCN(C)c2ccc(-c3c(OC)cccc3OC)nc2)cn1
InChIInChI=1S/C30H34N4O4/c1-33(21-13-15-23(31-19-21)29-25(35-3)9-7-10-26(29)36-4)17-18-34(2)22-14-16-24(32-20-22)30-27(37-5)11-8-12-28(30)38-6/h7-16,19-20H,17-18H2,1-6H3
InChIKeyCPAIUJPYXRJQLD-UHFFFAOYSA-N
MW514.63 g/mol
LogP5.42
Rot. Bonds11

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

N,N'-bis[6-(2,6-dimethoxyphenyl)-3-pyridinyl]-N,N'-dimethylethane-1,2-diamine (PubChem CID 22485577) has the molecular formula C30H34N4O4 and a molecular weight of 514.63 g/mol. Its IUPAC name is N,N'-bis[6-(2,6-dimethoxyphenyl)-3-pyridinyl]-N,N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN,N'-bis[6-(2,6-dimethoxyphenyl)-3-pyridinyl]-N,N'-dimethylethane-1,2-diamine
PubChem CID22485577
Molecular FormulaC30H34N4O4
Molecular Weight514.63 g/mol
Exact Mass514.26
IUPAC NameN,N'-bis[6-(2,6-dimethoxyphenyl)-3-pyridinyl]-N,N'-dimethylethane-1,2-diamine
SMILESCOc1cccc(OC)c1-c1ccc(N(C)CCN(C)c2ccc(-c3c(OC)cccc3OC)nc2)cn1
InChIInChI=1S/C30H34N4O4/c1-33(21-13-15-23(31-19-21)29-25(35-3)9-7-10-26(29)36-4)17-18-34(2)22-14-16-24(32-20-22)30-27(37-5)11-8-12-28(30)38-6/h7-16,19-20H,17-18H2,1-6H3
InChIKeyCPAIUJPYXRJQLD-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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Frequently Asked Questions

What is the IUPAC name of N,N'-bis[6-(2,6-dimethoxyphenyl)-3-pyridinyl]-N,N'-dimethylethane-1,2-diamine?
The IUPAC name of N,N'-bis[6-(2,6-dimethoxyphenyl)-3-pyridinyl]-N,N'-dimethylethane-1,2-diamine (CID 22485577) is N,N'-bis[6-(2,6-dimethoxyphenyl)-3-pyridinyl]-N,N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N,N'-bis[6-(2,6-dimethoxyphenyl)-3-pyridinyl]-N,N'-dimethylethane-1,2-diamine?
The canonical SMILES for N,N'-bis[6-(2,6-dimethoxyphenyl)-3-pyridinyl]-N,N'-dimethylethane-1,2-diamine is COc1cccc(OC)c1-c1ccc(N(C)CCN(C)c2ccc(-c3c(OC)cccc3OC)nc2)cn1.
What is the InChIKey of N,N'-bis[6-(2,6-dimethoxyphenyl)-3-pyridinyl]-N,N'-dimethylethane-1,2-diamine?
The InChIKey is CPAIUJPYXRJQLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N4O4/c1-33(21-13-15-23(31-19-21)29-25(35-3)9-7-10-26(29)36-4)17-18-34(2)22-14-16-24(32-20-22)30-27(37-5)11-8-12-28(30)38-6/h7-16,19-20H,17-18H2,1-6H3.
What are the key properties of N,N'-bis[6-(2,6-dimethoxyphenyl)-3-pyridinyl]-N,N'-dimethylethane-1,2-diamine?
N,N'-bis[6-(2,6-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-(2,6-dimethoxyphenyl)-3-pyridinyl]-N,N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 22485577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).