3-(2,2-dipyridin-3-ylethyl)-N-methyl-N-pyridin-3-ylpyridin-2-amine

C23H21N5 — CID 16662313

IUPAC3-(2,2-dipyridin-3-ylethyl)-N-methyl-N-pyridin-3-ylpyridin-2-amine
SMILESCN(c1cccnc1)c1ncccc1CC(c1cccnc1)c1cccnc1
InChIInChI=1S/C23H21N5/c1-28(21-9-5-12-26-17-21)23-18(6-4-13-27-23)14-22(19-7-2-10-24-15-19)20-8-3-11-25-16-20/h2-13,15-17,22H,14H2,1H3
InChIKeyXYELUSDGKSFNMV-UHFFFAOYSA-N
MW367.46 g/mol
LogP4.41
Rot. Bonds6

About 3-(2,2-dipyridin-3-ylethyl)-N-methyl-N-pyridin-3-ylpyridin-2-amine

3-(2,2-dipyridin-3-ylethyl)-N-methyl-N-pyridin-3-ylpyridin-2-amine (PubChem CID 16662313) has the molecular formula C23H21N5 and a molecular weight of 367.46 g/mol. Its IUPAC name is 3-(2,2-dipyridin-3-ylethyl)-N-methyl-N-pyridin-3-ylpyridin-2-amine.

Molecular Properties

Compound Name3-(2,2-dipyridin-3-ylethyl)-N-methyl-N-pyridin-3-ylpyridin-2-amine
PubChem CID16662313
Molecular FormulaC23H21N5
Molecular Weight367.46 g/mol
Exact Mass367.18
IUPAC Name3-(2,2-dipyridin-3-ylethyl)-N-methyl-N-pyridin-3-ylpyridin-2-amine
SMILESCN(c1cccnc1)c1ncccc1CC(c1cccnc1)c1cccnc1
InChIInChI=1S/C23H21N5/c1-28(21-9-5-12-26-17-21)23-18(6-4-13-27-23)14-22(19-7-2-10-24-15-19)20-8-3-11-25-16-20/h2-13,15-17,22H,14H2,1H3
InChIKeyXYELUSDGKSFNMV-UHFFFAOYSA-N
XLogP4.41
TPSA54.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.46
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dipyridin-3-ylethyl)-N-methyl-N-pyridin-3-ylpyridin-2-amine?
The IUPAC name of 3-(2,2-dipyridin-3-ylethyl)-N-methyl-N-pyridin-3-ylpyridin-2-amine (CID 16662313) is 3-(2,2-dipyridin-3-ylethyl)-N-methyl-N-pyridin-3-ylpyridin-2-amine.
What is the SMILES notation for 3-(2,2-dipyridin-3-ylethyl)-N-methyl-N-pyridin-3-ylpyridin-2-amine?
The canonical SMILES for 3-(2,2-dipyridin-3-ylethyl)-N-methyl-N-pyridin-3-ylpyridin-2-amine is CN(c1cccnc1)c1ncccc1CC(c1cccnc1)c1cccnc1.
What is the InChIKey of 3-(2,2-dipyridin-3-ylethyl)-N-methyl-N-pyridin-3-ylpyridin-2-amine?
The InChIKey is XYELUSDGKSFNMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5/c1-28(21-9-5-12-26-17-21)23-18(6-4-13-27-23)14-22(19-7-2-10-24-15-19)20-8-3-11-25-16-20/h2-13,15-17,22H,14H2,1H3.
What are the key properties of 3-(2,2-dipyridin-3-ylethyl)-N-methyl-N-pyridin-3-ylpyridin-2-amine?
3-(2,2-dipyridin-3-ylethyl)-N-methyl-N-pyridin-3-ylpyridin-2-amine has a molecular weight of 367.46 g/mol, XLogP of 4.41, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dipyridin-3-ylethyl)-N-methyl-N-pyridin-3-ylpyridin-2-amine is sourced from PubChem (CID 16662313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).