4-methyl-1-(3-phenylphenyl)-2H-pyridine-2,3-diamine

C18H19N3 — CID 69372440

IUPAC4-methyl-1-(3-phenylphenyl)-2H-pyridine-2,3-diamine
SMILESCC1=C(N)C(N)N(c2cccc(-c3ccccc3)c2)C=C1
InChIInChI=1S/C18H19N3/c1-13-10-11-21(18(20)17(13)19)16-9-5-8-15(12-16)14-6-3-2-4-7-14/h2-12,18H,19-20H2,1H3
InChIKeyHTVHKWCAENVGKT-UHFFFAOYSA-N
MW277.37 g/mol
LogP3.20
Rot. Bonds2

About 4-methyl-1-(3-phenylphenyl)-2H-pyridine-2,3-diamine

4-methyl-1-(3-phenylphenyl)-2H-pyridine-2,3-diamine (PubChem CID 69372440) has the molecular formula C18H19N3 and a molecular weight of 277.37 g/mol. Its IUPAC name is 4-methyl-1-(3-phenylphenyl)-2H-pyridine-2,3-diamine.

Molecular Properties

Compound Name4-methyl-1-(3-phenylphenyl)-2H-pyridine-2,3-diamine
PubChem CID69372440
Molecular FormulaC18H19N3
Molecular Weight277.37 g/mol
Exact Mass277.16
IUPAC Name4-methyl-1-(3-phenylphenyl)-2H-pyridine-2,3-diamine
SMILESCC1=C(N)C(N)N(c2cccc(-c3ccccc3)c2)C=C1
InChIInChI=1S/C18H19N3/c1-13-10-11-21(18(20)17(13)19)16-9-5-8-15(12-16)14-6-3-2-4-7-14/h2-12,18H,19-20H2,1H3
InChIKeyHTVHKWCAENVGKT-UHFFFAOYSA-N
XLogP3.20
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethyl-1-(3-phenylphenyl)-2H-pyridin-2-amine
CID 69369837
1-(3-phenylphenyl)pyrrole-2,5-dione
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2,2,4,5-tetramethyl-1,3-bis(3-phenylphenyl)-1,3,2-diazasilole
CID 58249953
bis(1,3-diphenylbenzene);ethane
CID 144938975
methanamine;1-methyl-3-phenylbenzene
CID 145414985
6-methyl-3-(3-phenylphenyl)-3-azabicyclo[3.1.0]hexane
CID 142422787
1,5-dimethyl-2,4-diphenyl-3H-pyrazol-3-amine
CID 54255395
(3S,3aS,6aS)-3-(2-methylphenyl)-2-phenyl-5-(3-phenylphenyl)-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
CID 98185069
(4S,5S)-4,5-diphenyl-1-(3-phenylphenyl)-3-(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-3-ium
CID 164665493
1,3-diphenylbenzene;ethane;methane
CID 171489435
9-[3-(3,5-diphenylphenyl)phenyl]-3,6-diphenylcarbazole
CID 166509860
1,1'-biphenyl;1,3-diphenylbenzene;1,4-diphenylbenzene;ethane;toluene
CID 165006736

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(3-phenylphenyl)-2H-pyridine-2,3-diamine?
The IUPAC name of 4-methyl-1-(3-phenylphenyl)-2H-pyridine-2,3-diamine (CID 69372440) is 4-methyl-1-(3-phenylphenyl)-2H-pyridine-2,3-diamine.
What is the SMILES notation for 4-methyl-1-(3-phenylphenyl)-2H-pyridine-2,3-diamine?
The canonical SMILES for 4-methyl-1-(3-phenylphenyl)-2H-pyridine-2,3-diamine is CC1=C(N)C(N)N(c2cccc(-c3ccccc3)c2)C=C1.
What is the InChIKey of 4-methyl-1-(3-phenylphenyl)-2H-pyridine-2,3-diamine?
The InChIKey is HTVHKWCAENVGKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3/c1-13-10-11-21(18(20)17(13)19)16-9-5-8-15(12-16)14-6-3-2-4-7-14/h2-12,18H,19-20H2,1H3.
What are the key properties of 4-methyl-1-(3-phenylphenyl)-2H-pyridine-2,3-diamine?
4-methyl-1-(3-phenylphenyl)-2H-pyridine-2,3-diamine has a molecular weight of 277.37 g/mol, XLogP of 3.20, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(3-phenylphenyl)-2H-pyridine-2,3-diamine is sourced from PubChem (CID 69372440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).