N-phenyl-3-pyridin-4-ylaniline

C17H14N2 — CID 118505949

IUPACN-phenyl-3-pyridin-4-ylaniline
SMILESc1ccc(Nc2cccc(-c3ccncc3)c2)cc1
InChIInChI=1S/C17H14N2/c1-2-6-16(7-3-1)19-17-8-4-5-15(13-17)14-9-11-18-12-10-14/h1-13,19H
InChIKeyIZIFYZCBVNHICR-UHFFFAOYSA-N
MW246.31 g/mol
LogP4.49
Rot. Bonds3

About N-phenyl-3-pyridin-4-ylaniline

N-phenyl-3-pyridin-4-ylaniline (PubChem CID 118505949) has the molecular formula C17H14N2 and a molecular weight of 246.31 g/mol. Its IUPAC name is N-phenyl-3-pyridin-4-ylaniline.

Molecular Properties

Compound NameN-phenyl-3-pyridin-4-ylaniline
PubChem CID118505949
Molecular FormulaC17H14N2
Molecular Weight246.31 g/mol
Exact Mass246.12
IUPAC NameN-phenyl-3-pyridin-4-ylaniline
SMILESc1ccc(Nc2cccc(-c3ccncc3)c2)cc1
InChIInChI=1S/C17H14N2/c1-2-6-16(7-3-1)19-17-8-4-5-15(13-17)14-9-11-18-12-10-14/h1-13,19H
InChIKeyIZIFYZCBVNHICR-UHFFFAOYSA-N
XLogP4.49
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-phenyl-3-(4-phenylphenyl)aniline
CID 58389913
4-[4-(3-phenylphenyl)phenyl]pyridine
CID 58943522
N-(3-fluorophenyl)-3-phenylaniline
CID 126702115
azane;4-phenylpyridine
CID 175775455
N-(4-ethylphenyl)-3-phenylaniline
CID 142244163
1,1'-biphenyl;3-methyl-N-phenylaniline
CID 19838437
N-(3-bromophenyl)-5-pyridin-4-ylpyridin-3-amine
CID 11595025
N-(3-pyridin-4-ylphenyl)pyridine-4-carboxamide
CID 166320523
N,6-diphenylnaphthalen-2-amine
CID 67205043
3-(pyridin-4-ylamino)phenol
CID 13098457
1-N-methyl-3-N-pyridin-4-ylbenzene-1,3-diamine
CID 157042736
N-(3-phenylphenyl)-1,3-oxazol-2-amine
CID 91160432

Frequently Asked Questions

What is the IUPAC name of N-phenyl-3-pyridin-4-ylaniline?
The IUPAC name of N-phenyl-3-pyridin-4-ylaniline (CID 118505949) is N-phenyl-3-pyridin-4-ylaniline.
What is the SMILES notation for N-phenyl-3-pyridin-4-ylaniline?
The canonical SMILES for N-phenyl-3-pyridin-4-ylaniline is c1ccc(Nc2cccc(-c3ccncc3)c2)cc1.
What is the InChIKey of N-phenyl-3-pyridin-4-ylaniline?
The InChIKey is IZIFYZCBVNHICR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2/c1-2-6-16(7-3-1)19-17-8-4-5-15(13-17)14-9-11-18-12-10-14/h1-13,19H.
What are the key properties of N-phenyl-3-pyridin-4-ylaniline?
N-phenyl-3-pyridin-4-ylaniline has a molecular weight of 246.31 g/mol, XLogP of 4.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-3-pyridin-4-ylaniline is sourced from PubChem (CID 118505949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).