N-[3-(2,2-dipyridin-3-ylethyl)-2-pyridinyl]quinoxalin-6-amine

C25H20N6 — CID 16662857

IUPACN-[3-(2,2-dipyridin-3-ylethyl)-2-pyridinyl]quinoxalin-6-amine
SMILESc1cncc(C(Cc2cccnc2Nc2ccc3nccnc3c2)c2cccnc2)c1
InChIInChI=1S/C25H20N6/c1-5-19(16-26-9-1)22(20-6-2-10-27-17-20)14-18-4-3-11-30-25(18)31-21-7-8-23-24(15-21)29-13-12-28-23/h1-13,15-17,22H,14H2,(H,30,31)
InChIKeyMPAIENBERWMNDI-UHFFFAOYSA-N
MW404.48 g/mol
LogP4.93
Rot. Bonds6

About N-[3-(2,2-dipyridin-3-ylethyl)-2-pyridinyl]quinoxalin-6-amine

N-[3-(2,2-dipyridin-3-ylethyl)-2-pyridinyl]quinoxalin-6-amine (PubChem CID 16662857) has the molecular formula C25H20N6 and a molecular weight of 404.48 g/mol. Its IUPAC name is N-[3-(2,2-dipyridin-3-ylethyl)-2-pyridinyl]quinoxalin-6-amine.

Molecular Properties

Compound NameN-[3-(2,2-dipyridin-3-ylethyl)-2-pyridinyl]quinoxalin-6-amine
PubChem CID16662857
Molecular FormulaC25H20N6
Molecular Weight404.48 g/mol
Exact Mass404.17
IUPAC NameN-[3-(2,2-dipyridin-3-ylethyl)-2-pyridinyl]quinoxalin-6-amine
SMILESc1cncc(C(Cc2cccnc2Nc2ccc3nccnc3c2)c2cccnc2)c1
InChIInChI=1S/C25H20N6/c1-5-19(16-26-9-1)22(20-6-2-10-27-17-20)14-18-4-3-11-30-25(18)31-21-7-8-23-24(15-21)29-13-12-28-23/h1-13,15-17,22H,14H2,(H,30,31)
InChIKeyMPAIENBERWMNDI-UHFFFAOYSA-N
XLogP4.93
TPSA76.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.48
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(2,2-dipyridin-3-ylethyl)-N-[4-methoxy-3-(trifluoromethyl)phenyl]pyridin-2-amine
CID 16663116
N-[3-(2,2-dipyridin-3-ylethyl)-2-pyridinyl]-2,6-dimethylpyrimidin-4-amine
CID 16662853
3-(2,2-dipyridin-3-ylethyl)-2-(4-methylphenyl)pyridine
CID 66829361
2-(4-chlorophenyl)-3-(2,2-dipyridin-3-ylethyl)pyridine
CID 66829368
N-[3-(2,2-dipyridin-3-ylethyl)phenyl]pyridin-3-amine
CID 16662604
2-N-[2-(2,2-dipyridin-3-ylethyl)phenyl]pyridine-2,5-diamine
CID 16662311
2-(cyclohexen-1-yl)-3-(2,2-dipyridin-3-ylethyl)pyridine
CID 66829358
3-(2,2-dipyridin-3-ylethyl)-N-ethyl-N-pyridin-3-ylpyridin-2-amine
CID 16662535
3-(2,2-dipyridin-3-ylethyl)-2-(4-fluoro-2-methylphenyl)pyridine
CID 66829446
3-(2,2-dipyridin-3-ylethyl)-2-[(3S)-3-fluoropyrrolidin-1-yl]pyridine
CID 67265206
3-(2,2-dipyridin-3-ylethyl)-N-methyl-N-pyridin-2-ylpyridin-2-amine
CID 16662379
3-(2,2-dipyridin-3-ylethyl)-2-[(3R)-3-methoxypyrrolidin-1-yl]pyridine
CID 66830725

Frequently Asked Questions

What is the IUPAC name of N-[3-(2,2-dipyridin-3-ylethyl)-2-pyridinyl]quinoxalin-6-amine?
The IUPAC name of N-[3-(2,2-dipyridin-3-ylethyl)-2-pyridinyl]quinoxalin-6-amine (CID 16662857) is N-[3-(2,2-dipyridin-3-ylethyl)-2-pyridinyl]quinoxalin-6-amine.
What is the SMILES notation for N-[3-(2,2-dipyridin-3-ylethyl)-2-pyridinyl]quinoxalin-6-amine?
The canonical SMILES for N-[3-(2,2-dipyridin-3-ylethyl)-2-pyridinyl]quinoxalin-6-amine is c1cncc(C(Cc2cccnc2Nc2ccc3nccnc3c2)c2cccnc2)c1.
What is the InChIKey of N-[3-(2,2-dipyridin-3-ylethyl)-2-pyridinyl]quinoxalin-6-amine?
The InChIKey is MPAIENBERWMNDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N6/c1-5-19(16-26-9-1)22(20-6-2-10-27-17-20)14-18-4-3-11-30-25(18)31-21-7-8-23-24(15-21)29-13-12-28-23/h1-13,15-17,22H,14H2,(H,30,31).
What are the key properties of N-[3-(2,2-dipyridin-3-ylethyl)-2-pyridinyl]quinoxalin-6-amine?
N-[3-(2,2-dipyridin-3-ylethyl)-2-pyridinyl]quinoxalin-6-amine has a molecular weight of 404.48 g/mol, XLogP of 4.93, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,2-dipyridin-3-ylethyl)-2-pyridinyl]quinoxalin-6-amine is sourced from PubChem (CID 16662857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).