3-methyl-5-nitro-N-(1-phenylethyl)pyridin-2-amine

C14H15N3O2 — CID 11948874

IUPAC3-methyl-5-nitro-N-(1-phenylethyl)pyridin-2-amine
SMILESCc1cc([N+](=O)[O-])cnc1NC(C)c1ccccc1
InChIInChI=1S/C14H15N3O2/c1-10-8-13(17(18)19)9-15-14(10)16-11(2)12-6-4-3-5-7-12/h3-9,11H,1-2H3,(H,15,16)
InChIKeyQTEKZVQDUYPYJM-UHFFFAOYSA-N
MW257.29 g/mol
LogP3.47
Rot. Bonds4

About 3-methyl-5-nitro-N-(1-phenylethyl)pyridin-2-amine

3-methyl-5-nitro-N-(1-phenylethyl)pyridin-2-amine (PubChem CID 11948874) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is 3-methyl-5-nitro-N-(1-phenylethyl)pyridin-2-amine.

Molecular Properties

Compound Name3-methyl-5-nitro-N-(1-phenylethyl)pyridin-2-amine
PubChem CID11948874
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name3-methyl-5-nitro-N-(1-phenylethyl)pyridin-2-amine
SMILESCc1cc([N+](=O)[O-])cnc1NC(C)c1ccccc1
InChIInChI=1S/C14H15N3O2/c1-10-8-13(17(18)19)9-15-14(10)16-11(2)12-6-4-3-5-7-12/h3-9,11H,1-2H3,(H,15,16)
InChIKeyQTEKZVQDUYPYJM-UHFFFAOYSA-N
XLogP3.47
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 53.47
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 3-methyl-5-nitro-N-(1-phenylethyl)pyridin-2-amine?
The IUPAC name of 3-methyl-5-nitro-N-(1-phenylethyl)pyridin-2-amine (CID 11948874) is 3-methyl-5-nitro-N-(1-phenylethyl)pyridin-2-amine.
What is the SMILES notation for 3-methyl-5-nitro-N-(1-phenylethyl)pyridin-2-amine?
The canonical SMILES for 3-methyl-5-nitro-N-(1-phenylethyl)pyridin-2-amine is Cc1cc([N+](=O)[O-])cnc1NC(C)c1ccccc1.
What is the InChIKey of 3-methyl-5-nitro-N-(1-phenylethyl)pyridin-2-amine?
The InChIKey is QTEKZVQDUYPYJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-10-8-13(17(18)19)9-15-14(10)16-11(2)12-6-4-3-5-7-12/h3-9,11H,1-2H3,(H,15,16).
What are the key properties of 3-methyl-5-nitro-N-(1-phenylethyl)pyridin-2-amine?
3-methyl-5-nitro-N-(1-phenylethyl)pyridin-2-amine has a molecular weight of 257.29 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-nitro-N-(1-phenylethyl)pyridin-2-amine is sourced from PubChem (CID 11948874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).