5-methyl-4-nitro-N-(2-phenylethyl)pyridin-2-amine

C14H15N3O2 — CID 83267358

IUPAC5-methyl-4-nitro-N-(2-phenylethyl)pyridin-2-amine
SMILESCc1cnc(NCCc2ccccc2)cc1[N+](=O)[O-]
InChIInChI=1S/C14H15N3O2/c1-11-10-16-14(9-13(11)17(18)19)15-8-7-12-5-3-2-4-6-12/h2-6,9-10H,7-8H2,1H3,(H,15,16)
InChIKeyCMPZADWZETVVAO-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.95
Rot. Bonds5

About 5-methyl-4-nitro-N-(2-phenylethyl)pyridin-2-amine

5-methyl-4-nitro-N-(2-phenylethyl)pyridin-2-amine (PubChem CID 83267358) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is 5-methyl-4-nitro-N-(2-phenylethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-methyl-4-nitro-N-(2-phenylethyl)pyridin-2-amine
PubChem CID83267358
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name5-methyl-4-nitro-N-(2-phenylethyl)pyridin-2-amine
SMILESCc1cnc(NCCc2ccccc2)cc1[N+](=O)[O-]
InChIInChI=1S/C14H15N3O2/c1-11-10-16-14(9-13(11)17(18)19)15-8-7-12-5-3-2-4-6-12/h2-6,9-10H,7-8H2,1H3,(H,15,16)
InChIKeyCMPZADWZETVVAO-UHFFFAOYSA-N
XLogP2.95
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.95
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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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-nitro-N-(2-phenylethyl)pyridin-2-amine?
The IUPAC name of 5-methyl-4-nitro-N-(2-phenylethyl)pyridin-2-amine (CID 83267358) is 5-methyl-4-nitro-N-(2-phenylethyl)pyridin-2-amine.
What is the SMILES notation for 5-methyl-4-nitro-N-(2-phenylethyl)pyridin-2-amine?
The canonical SMILES for 5-methyl-4-nitro-N-(2-phenylethyl)pyridin-2-amine is Cc1cnc(NCCc2ccccc2)cc1[N+](=O)[O-].
What is the InChIKey of 5-methyl-4-nitro-N-(2-phenylethyl)pyridin-2-amine?
The InChIKey is CMPZADWZETVVAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-11-10-16-14(9-13(11)17(18)19)15-8-7-12-5-3-2-4-6-12/h2-6,9-10H,7-8H2,1H3,(H,15,16).
What are the key properties of 5-methyl-4-nitro-N-(2-phenylethyl)pyridin-2-amine?
5-methyl-4-nitro-N-(2-phenylethyl)pyridin-2-amine has a molecular weight of 257.29 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-nitro-N-(2-phenylethyl)pyridin-2-amine is sourced from PubChem (CID 83267358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).