3-(3-methyl-2-pyridinyl)-N-[3-(3-methyl-2-pyridinyl)phenyl]aniline

C24H21N3 — CID 90070817

IUPAC3-(3-methyl-2-pyridinyl)-N-[3-(3-methyl-2-pyridinyl)phenyl]aniline
SMILESCc1cccnc1-c1cccc(Nc2cccc(-c3ncccc3C)c2)c1
InChIInChI=1S/C24H21N3/c1-17-7-5-13-25-23(17)19-9-3-11-21(15-19)27-22-12-4-10-20(16-22)24-18(2)8-6-14-26-24/h3-16,27H,1-2H3
InChIKeyNXKGHLKDMKISRA-UHFFFAOYSA-N
MW351.45 g/mol
LogP6.17
Rot. Bonds4

About 3-(3-methyl-2-pyridinyl)-N-[3-(3-methyl-2-pyridinyl)phenyl]aniline

3-(3-methyl-2-pyridinyl)-N-[3-(3-methyl-2-pyridinyl)phenyl]aniline (PubChem CID 90070817) has the molecular formula C24H21N3 and a molecular weight of 351.45 g/mol. Its IUPAC name is 3-(3-methyl-2-pyridinyl)-N-[3-(3-methyl-2-pyridinyl)phenyl]aniline.

Molecular Properties

Compound Name3-(3-methyl-2-pyridinyl)-N-[3-(3-methyl-2-pyridinyl)phenyl]aniline
PubChem CID90070817
Molecular FormulaC24H21N3
Molecular Weight351.45 g/mol
Exact Mass351.17
IUPAC Name3-(3-methyl-2-pyridinyl)-N-[3-(3-methyl-2-pyridinyl)phenyl]aniline
SMILESCc1cccnc1-c1cccc(Nc2cccc(-c3ncccc3C)c2)c1
InChIInChI=1S/C24H21N3/c1-17-7-5-13-25-23(17)19-9-3-11-21(15-19)27-22-12-4-10-20(16-22)24-18(2)8-6-14-26-24/h3-16,27H,1-2H3
InChIKeyNXKGHLKDMKISRA-UHFFFAOYSA-N
XLogP6.17
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.45
LogP ≤ 56.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methyl-2-pyridinyl)-N-[3-(3-methyl-2-pyridinyl)phenyl]aniline?
The IUPAC name of 3-(3-methyl-2-pyridinyl)-N-[3-(3-methyl-2-pyridinyl)phenyl]aniline (CID 90070817) is 3-(3-methyl-2-pyridinyl)-N-[3-(3-methyl-2-pyridinyl)phenyl]aniline.
What is the SMILES notation for 3-(3-methyl-2-pyridinyl)-N-[3-(3-methyl-2-pyridinyl)phenyl]aniline?
The canonical SMILES for 3-(3-methyl-2-pyridinyl)-N-[3-(3-methyl-2-pyridinyl)phenyl]aniline is Cc1cccnc1-c1cccc(Nc2cccc(-c3ncccc3C)c2)c1.
What is the InChIKey of 3-(3-methyl-2-pyridinyl)-N-[3-(3-methyl-2-pyridinyl)phenyl]aniline?
The InChIKey is NXKGHLKDMKISRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3/c1-17-7-5-13-25-23(17)19-9-3-11-21(15-19)27-22-12-4-10-20(16-22)24-18(2)8-6-14-26-24/h3-16,27H,1-2H3.
What are the key properties of 3-(3-methyl-2-pyridinyl)-N-[3-(3-methyl-2-pyridinyl)phenyl]aniline?
3-(3-methyl-2-pyridinyl)-N-[3-(3-methyl-2-pyridinyl)phenyl]aniline has a molecular weight of 351.45 g/mol, XLogP of 6.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methyl-2-pyridinyl)-N-[3-(3-methyl-2-pyridinyl)phenyl]aniline is sourced from PubChem (CID 90070817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).