3-methyl-N-[2-(2-methylphenyl)ethyl]-5-nitropyridin-2-amine

C15H17N3O2 — CID 56571040

IUPAC3-methyl-N-[2-(2-methylphenyl)ethyl]-5-nitropyridin-2-amine
SMILESCc1ccccc1CCNc1ncc([N+](=O)[O-])cc1C
InChIInChI=1S/C15H17N3O2/c1-11-5-3-4-6-13(11)7-8-16-15-12(2)9-14(10-17-15)18(19)20/h3-6,9-10H,7-8H2,1-2H3,(H,16,17)
InChIKeyJJJKRTPIDWONEV-UHFFFAOYSA-N
MW271.32 g/mol
LogP3.26
Rot. Bonds5

About 3-methyl-N-[2-(2-methylphenyl)ethyl]-5-nitropyridin-2-amine

3-methyl-N-[2-(2-methylphenyl)ethyl]-5-nitropyridin-2-amine (PubChem CID 56571040) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 3-methyl-N-[2-(2-methylphenyl)ethyl]-5-nitropyridin-2-amine.

Molecular Properties

Compound Name3-methyl-N-[2-(2-methylphenyl)ethyl]-5-nitropyridin-2-amine
PubChem CID56571040
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name3-methyl-N-[2-(2-methylphenyl)ethyl]-5-nitropyridin-2-amine
SMILESCc1ccccc1CCNc1ncc([N+](=O)[O-])cc1C
InChIInChI=1S/C15H17N3O2/c1-11-5-3-4-6-13(11)7-8-16-15-12(2)9-14(10-17-15)18(19)20/h3-6,9-10H,7-8H2,1-2H3,(H,16,17)
InChIKeyJJJKRTPIDWONEV-UHFFFAOYSA-N
XLogP3.26
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 53.26
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'}

Analyze 3-methyl-N-[2-(2-methylphenyl)ethyl]-5-nitropyridin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-methyl-5-nitro-N-(2-phenylethyl)pyridin-2-amine
CID 62478044
N-[[2-(aminomethyl)phenyl]methyl]-3-methyl-5-nitropyridin-2-amine
CID 62950842
N-benzyl-3-methyl-5-nitropyridin-2-amine
CID 58926720
3-bromo-4-methyl-N-[2-(2-methylphenyl)ethyl]-5-nitropyridin-2-amine
CID 104508079
3-methyl-N-[2-(4-methylsulfonylphenyl)ethyl]-5-nitropyridin-2-amine
CID 71996114
3-methyl-N-(3-methylbutyl)-5-nitropyridin-2-amine
CID 62477027
N-[2-(2-methylphenyl)ethyl]-2-nitropyridin-3-amine
CID 115585466
3-methyl-5-nitro-N-(3,3,3-trifluoropropyl)pyridin-2-amine
CID 55174948
N-(3-methoxypropyl)-3-methyl-5-nitropyridin-2-amine
CID 62477722
3-methyl-5-nitro-N-[(4-nitrophenyl)methyl]pyridin-2-amine
CID 62475677
N-[2-(3-aminophenoxy)ethyl]-3-methyl-5-nitropyridin-2-amine
CID 63237716
N-cycloheptyl-N'-(3-methyl-5-nitro-2-pyridinyl)ethane-1,2-diamine
CID 115306690

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-(2-methylphenyl)ethyl]-5-nitropyridin-2-amine?
The IUPAC name of 3-methyl-N-[2-(2-methylphenyl)ethyl]-5-nitropyridin-2-amine (CID 56571040) is 3-methyl-N-[2-(2-methylphenyl)ethyl]-5-nitropyridin-2-amine.
What is the SMILES notation for 3-methyl-N-[2-(2-methylphenyl)ethyl]-5-nitropyridin-2-amine?
The canonical SMILES for 3-methyl-N-[2-(2-methylphenyl)ethyl]-5-nitropyridin-2-amine is Cc1ccccc1CCNc1ncc([N+](=O)[O-])cc1C.
What is the InChIKey of 3-methyl-N-[2-(2-methylphenyl)ethyl]-5-nitropyridin-2-amine?
The InChIKey is JJJKRTPIDWONEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-11-5-3-4-6-13(11)7-8-16-15-12(2)9-14(10-17-15)18(19)20/h3-6,9-10H,7-8H2,1-2H3,(H,16,17).
What are the key properties of 3-methyl-N-[2-(2-methylphenyl)ethyl]-5-nitropyridin-2-amine?
3-methyl-N-[2-(2-methylphenyl)ethyl]-5-nitropyridin-2-amine has a molecular weight of 271.32 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-(2-methylphenyl)ethyl]-5-nitropyridin-2-amine is sourced from PubChem (CID 56571040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).