N-[6-[3-[6-[5-[6-[2-(dimethylamino)ethylamino]-2-pyridinyl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-N',N'-dimethylethane-1,2-diamine

C27H31N11O2 — CID 102306046

IUPACN-[6-[3-[6-[5-[6-[2-(dimethylamino)ethylamino]-2-pyridinyl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-N',N'-dimethylethane-1,2-diamine
SMILESCN(C)CCNc1cccc(-c2nc(-c3cccc(-c4noc(-c5cccc(NCCN(C)C)n5)n4)n3)no2)n1
InChIInChI=1S/C27H31N11O2/c1-37(2)16-14-28-22-12-6-10-20(31-22)26-33-24(35-39-26)18-8-5-9-19(30-18)25-34-27(40-36-25)21-11-7-13-23(32-21)29-15-17-38(3)4/h5-13H,14-17H2,1-4H3,(H,28,31)(H,29,32)
InChIKeyOVLVZSYGDVPWFK-UHFFFAOYSA-N
MW541.62 g/mol
LogP3.25
Rot. Bonds12

About N-[6-[3-[6-[5-[6-[2-(dimethylamino)ethylamino]-2-pyridinyl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-N',N'-dimethylethane-1,2-diamine

N-[6-[3-[6-[5-[6-[2-(dimethylamino)ethylamino]-2-pyridinyl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-N',N'-dimethylethane-1,2-diamine (PubChem CID 102306046) has the molecular formula C27H31N11O2 and a molecular weight of 541.62 g/mol. Its IUPAC name is N-[6-[3-[6-[5-[6-[2-(dimethylamino)ethylamino]-2-pyridinyl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-N',N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN-[6-[3-[6-[5-[6-[2-(dimethylamino)ethylamino]-2-pyridinyl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-N',N'-dimethylethane-1,2-diamine
PubChem CID102306046
Molecular FormulaC27H31N11O2
Molecular Weight541.62 g/mol
Exact Mass541.27
IUPAC NameN-[6-[3-[6-[5-[6-[2-(dimethylamino)ethylamino]-2-pyridinyl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-N',N'-dimethylethane-1,2-diamine
SMILESCN(C)CCNc1cccc(-c2nc(-c3cccc(-c4noc(-c5cccc(NCCN(C)C)n5)n4)n3)no2)n1
InChIInChI=1S/C27H31N11O2/c1-37(2)16-14-28-22-12-6-10-20(31-22)26-33-24(35-39-26)18-8-5-9-19(30-18)25-34-27(40-36-25)21-11-7-13-23(32-21)29-15-17-38(3)4/h5-13H,14-17H2,1-4H3,(H,28,31)(H,29,32)
InChIKeyOVLVZSYGDVPWFK-UHFFFAOYSA-N
XLogP3.25
TPSA147.05 Ų
H-Bond Donors2
H-Bond Acceptors13
Rotatable Bonds12
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500541.62
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1013

Analyze N-[6-[3-[6-[5-[6-[2-(dimethylamino)ethylamino]-2-pyridinyl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-N',N'-dimethylethane-1,2-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[6-[3-[6-[5-[6-[2-(dimethylamino)ethylamino]-2-pyridinyl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-N',N'-dimethylethane-1,2-diamine?
The IUPAC name of N-[6-[3-[6-[5-[6-[2-(dimethylamino)ethylamino]-2-pyridinyl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-N',N'-dimethylethane-1,2-diamine (CID 102306046) is N-[6-[3-[6-[5-[6-[2-(dimethylamino)ethylamino]-2-pyridinyl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-N',N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N-[6-[3-[6-[5-[6-[2-(dimethylamino)ethylamino]-2-pyridinyl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-N',N'-dimethylethane-1,2-diamine?
The canonical SMILES for N-[6-[3-[6-[5-[6-[2-(dimethylamino)ethylamino]-2-pyridinyl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-N',N'-dimethylethane-1,2-diamine is CN(C)CCNc1cccc(-c2nc(-c3cccc(-c4noc(-c5cccc(NCCN(C)C)n5)n4)n3)no2)n1.
What is the InChIKey of N-[6-[3-[6-[5-[6-[2-(dimethylamino)ethylamino]-2-pyridinyl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-N',N'-dimethylethane-1,2-diamine?
The InChIKey is OVLVZSYGDVPWFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N11O2/c1-37(2)16-14-28-22-12-6-10-20(31-22)26-33-24(35-39-26)18-8-5-9-19(30-18)25-34-27(40-36-25)21-11-7-13-23(32-21)29-15-17-38(3)4/h5-13H,14-17H2,1-4H3,(H,28,31)(H,29,32).
What are the key properties of N-[6-[3-[6-[5-[6-[2-(dimethylamino)ethylamino]-2-pyridinyl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-N',N'-dimethylethane-1,2-diamine?
N-[6-[3-[6-[5-[6-[2-(dimethylamino)ethylamino]-2-pyridinyl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-N',N'-dimethylethane-1,2-diamine has a molecular weight of 541.62 g/mol, XLogP of 3.25, 12 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[3-[6-[5-[6-[2-(dimethylamino)ethylamino]-2-pyridinyl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-N',N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 102306046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).