3-(2-methyl-2,3-dihydropyridin-3-yl)-5-pyridin-3-ylaniline

C17H17N3 — CID 167246929

IUPAC3-(2-methyl-2,3-dihydropyridin-3-yl)-5-pyridin-3-ylaniline
SMILESCC1N=CC=CC1c1cc(N)cc(-c2cccnc2)c1
InChIInChI=1S/C17H17N3/c1-12-17(5-3-7-20-12)15-8-14(9-16(18)10-15)13-4-2-6-19-11-13/h2-12,17H,18H2,1H3
InChIKeyKFLWBKSJEBOGTJ-UHFFFAOYSA-N
MW263.34 g/mol
LogP3.44
Rot. Bonds2

About 3-(2-methyl-2,3-dihydropyridin-3-yl)-5-pyridin-3-ylaniline

3-(2-methyl-2,3-dihydropyridin-3-yl)-5-pyridin-3-ylaniline (PubChem CID 167246929) has the molecular formula C17H17N3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 3-(2-methyl-2,3-dihydropyridin-3-yl)-5-pyridin-3-ylaniline.

Molecular Properties

Compound Name3-(2-methyl-2,3-dihydropyridin-3-yl)-5-pyridin-3-ylaniline
PubChem CID167246929
Molecular FormulaC17H17N3
Molecular Weight263.34 g/mol
Exact Mass263.14
IUPAC Name3-(2-methyl-2,3-dihydropyridin-3-yl)-5-pyridin-3-ylaniline
SMILESCC1N=CC=CC1c1cc(N)cc(-c2cccnc2)c1
InChIInChI=1S/C17H17N3/c1-12-17(5-3-7-20-12)15-8-14(9-16(18)10-15)13-4-2-6-19-11-13/h2-12,17H,18H2,1H3
InChIKeyKFLWBKSJEBOGTJ-UHFFFAOYSA-N
XLogP3.44
TPSA51.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methyl-2,3-dihydropyridin-3-yl)-5-pyridin-3-ylaniline?
The IUPAC name of 3-(2-methyl-2,3-dihydropyridin-3-yl)-5-pyridin-3-ylaniline (CID 167246929) is 3-(2-methyl-2,3-dihydropyridin-3-yl)-5-pyridin-3-ylaniline.
What is the SMILES notation for 3-(2-methyl-2,3-dihydropyridin-3-yl)-5-pyridin-3-ylaniline?
The canonical SMILES for 3-(2-methyl-2,3-dihydropyridin-3-yl)-5-pyridin-3-ylaniline is CC1N=CC=CC1c1cc(N)cc(-c2cccnc2)c1.
What is the InChIKey of 3-(2-methyl-2,3-dihydropyridin-3-yl)-5-pyridin-3-ylaniline?
The InChIKey is KFLWBKSJEBOGTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3/c1-12-17(5-3-7-20-12)15-8-14(9-16(18)10-15)13-4-2-6-19-11-13/h2-12,17H,18H2,1H3.
What are the key properties of 3-(2-methyl-2,3-dihydropyridin-3-yl)-5-pyridin-3-ylaniline?
3-(2-methyl-2,3-dihydropyridin-3-yl)-5-pyridin-3-ylaniline has a molecular weight of 263.34 g/mol, XLogP of 3.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methyl-2,3-dihydropyridin-3-yl)-5-pyridin-3-ylaniline is sourced from PubChem (CID 167246929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).