5-methyl-2-(3-methyl-2-pyridinyl)-N-(4-nitrophenyl)aniline

C19H17N3O2 — CID 72735878

IUPAC5-methyl-2-(3-methyl-2-pyridinyl)-N-(4-nitrophenyl)aniline
SMILESCc1ccc(-c2ncccc2C)c(Nc2ccc([N+](=O)[O-])cc2)c1
InChIInChI=1S/C19H17N3O2/c1-13-5-10-17(19-14(2)4-3-11-20-19)18(12-13)21-15-6-8-16(9-7-15)22(23)24/h3-12,21H,1-2H3
InChIKeyFEQYTULUFRZANX-UHFFFAOYSA-N
MW319.36 g/mol
LogP5.02
Rot. Bonds4

About 5-methyl-2-(3-methyl-2-pyridinyl)-N-(4-nitrophenyl)aniline

5-methyl-2-(3-methyl-2-pyridinyl)-N-(4-nitrophenyl)aniline (PubChem CID 72735878) has the molecular formula C19H17N3O2 and a molecular weight of 319.36 g/mol. Its IUPAC name is 5-methyl-2-(3-methyl-2-pyridinyl)-N-(4-nitrophenyl)aniline.

Molecular Properties

Compound Name5-methyl-2-(3-methyl-2-pyridinyl)-N-(4-nitrophenyl)aniline
PubChem CID72735878
Molecular FormulaC19H17N3O2
Molecular Weight319.36 g/mol
Exact Mass319.13
IUPAC Name5-methyl-2-(3-methyl-2-pyridinyl)-N-(4-nitrophenyl)aniline
SMILESCc1ccc(-c2ncccc2C)c(Nc2ccc([N+](=O)[O-])cc2)c1
InChIInChI=1S/C19H17N3O2/c1-13-5-10-17(19-14(2)4-3-11-20-19)18(12-13)21-15-6-8-16(9-7-15)22(23)24/h3-12,21H,1-2H3
InChIKeyFEQYTULUFRZANX-UHFFFAOYSA-N
XLogP5.02
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.36
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(4-nitrophenyl)-3-pyridin-2-ylnaphthalen-2-amine
CID 72736085
2-(2-fluoro-4-methylphenyl)-3-(4-nitrophenyl)pyrazine
CID 126561368
2-(2-methylphenyl)-3-(4-nitrophenyl)pyrazine
CID 126530724
2-(2-bromo-4-methylphenyl)-3-methylpyridine
CID 177492529
4-iodo-2-methyl-N-(4-nitrophenyl)aniline
CID 4763873
5-nitro-2-pyridin-2-yl-N-[4-(trifluoromethyl)phenyl]aniline
CID 168986296
N-(4-methylphenyl)-4-[(4-nitrophenyl)diazenyl]naphthalen-1-amine
CID 14549983
N-[1-(2,4-dimethylphenyl)ethyl]-3-(4-nitrophenyl)pyrazin-2-amine
CID 130297376
N-(3-methyl-4-nitrophenyl)pyrimidin-2-amine
CID 125475479
2-(4-nitroanilino)phenol
CID 14224817
4-N-(2,5-dimethylphenyl)-5-nitro-6-N-phenylpyrimidine-4,6-diamine
CID 23485707
2-(4-methyl-2-nitrophenyl)pyridine-3-carboxamide
CID 154376206

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(3-methyl-2-pyridinyl)-N-(4-nitrophenyl)aniline?
The IUPAC name of 5-methyl-2-(3-methyl-2-pyridinyl)-N-(4-nitrophenyl)aniline (CID 72735878) is 5-methyl-2-(3-methyl-2-pyridinyl)-N-(4-nitrophenyl)aniline.
What is the SMILES notation for 5-methyl-2-(3-methyl-2-pyridinyl)-N-(4-nitrophenyl)aniline?
The canonical SMILES for 5-methyl-2-(3-methyl-2-pyridinyl)-N-(4-nitrophenyl)aniline is Cc1ccc(-c2ncccc2C)c(Nc2ccc([N+](=O)[O-])cc2)c1.
What is the InChIKey of 5-methyl-2-(3-methyl-2-pyridinyl)-N-(4-nitrophenyl)aniline?
The InChIKey is FEQYTULUFRZANX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O2/c1-13-5-10-17(19-14(2)4-3-11-20-19)18(12-13)21-15-6-8-16(9-7-15)22(23)24/h3-12,21H,1-2H3.
What are the key properties of 5-methyl-2-(3-methyl-2-pyridinyl)-N-(4-nitrophenyl)aniline?
5-methyl-2-(3-methyl-2-pyridinyl)-N-(4-nitrophenyl)aniline has a molecular weight of 319.36 g/mol, XLogP of 5.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(3-methyl-2-pyridinyl)-N-(4-nitrophenyl)aniline is sourced from PubChem (CID 72735878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).