2-pyridin-3-yl-N-(pyridin-4-ylmethyl)aniline

C17H15N3 — CID 122180567

IUPAC2-pyridin-3-yl-N-(pyridin-4-ylmethyl)aniline
SMILESc1cncc(-c2ccccc2NCc2ccncc2)c1
InChIInChI=1S/C17H15N3/c1-2-6-17(20-12-14-7-10-18-11-8-14)16(5-1)15-4-3-9-19-13-15/h1-11,13,20H,12H2
InChIKeyZMOSESDPLYLRJR-UHFFFAOYSA-N
MW261.33 g/mol
LogP3.76
Rot. Bonds4

About 2-pyridin-3-yl-N-(pyridin-4-ylmethyl)aniline

2-pyridin-3-yl-N-(pyridin-4-ylmethyl)aniline (PubChem CID 122180567) has the molecular formula C17H15N3 and a molecular weight of 261.33 g/mol. Its IUPAC name is 2-pyridin-3-yl-N-(pyridin-4-ylmethyl)aniline.

Molecular Properties

Compound Name2-pyridin-3-yl-N-(pyridin-4-ylmethyl)aniline
PubChem CID122180567
Molecular FormulaC17H15N3
Molecular Weight261.33 g/mol
Exact Mass261.13
IUPAC Name2-pyridin-3-yl-N-(pyridin-4-ylmethyl)aniline
SMILESc1cncc(-c2ccccc2NCc2ccncc2)c1
InChIInChI=1S/C17H15N3/c1-2-6-17(20-12-14-7-10-18-11-8-14)16(5-1)15-4-3-9-19-13-15/h1-11,13,20H,12H2
InChIKeyZMOSESDPLYLRJR-UHFFFAOYSA-N
XLogP3.76
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-pyridin-3-yl-N-(pyridin-4-ylmethyl)aniline?
The IUPAC name of 2-pyridin-3-yl-N-(pyridin-4-ylmethyl)aniline (CID 122180567) is 2-pyridin-3-yl-N-(pyridin-4-ylmethyl)aniline.
What is the SMILES notation for 2-pyridin-3-yl-N-(pyridin-4-ylmethyl)aniline?
The canonical SMILES for 2-pyridin-3-yl-N-(pyridin-4-ylmethyl)aniline is c1cncc(-c2ccccc2NCc2ccncc2)c1.
What is the InChIKey of 2-pyridin-3-yl-N-(pyridin-4-ylmethyl)aniline?
The InChIKey is ZMOSESDPLYLRJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3/c1-2-6-17(20-12-14-7-10-18-11-8-14)16(5-1)15-4-3-9-19-13-15/h1-11,13,20H,12H2.
What are the key properties of 2-pyridin-3-yl-N-(pyridin-4-ylmethyl)aniline?
2-pyridin-3-yl-N-(pyridin-4-ylmethyl)aniline has a molecular weight of 261.33 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-3-yl-N-(pyridin-4-ylmethyl)aniline is sourced from PubChem (CID 122180567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).