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

C14H15N3O2 — CID 2848973

IUPACN-methyl-5-nitro-N-(2-phenylethyl)pyridin-2-amine
SMILESCN(CCc1ccccc1)c1ccc([N+](=O)[O-])cn1
InChIInChI=1S/C14H15N3O2/c1-16(10-9-12-5-3-2-4-6-12)14-8-7-13(11-15-14)17(18)19/h2-8,11H,9-10H2,1H3
InChIKeyQIGLMVKSHACNLK-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.67
Rot. Bonds5

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

N-methyl-5-nitro-N-(2-phenylethyl)pyridin-2-amine (PubChem CID 2848973) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is N-methyl-5-nitro-N-(2-phenylethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-methyl-5-nitro-N-(2-phenylethyl)pyridin-2-amine
PubChem CID2848973
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC NameN-methyl-5-nitro-N-(2-phenylethyl)pyridin-2-amine
SMILESCN(CCc1ccccc1)c1ccc([N+](=O)[O-])cn1
InChIInChI=1S/C14H15N3O2/c1-16(10-9-12-5-3-2-4-6-12)14-8-7-13(11-15-14)17(18)19/h2-8,11H,9-10H2,1H3
InChIKeyQIGLMVKSHACNLK-UHFFFAOYSA-N
XLogP2.67
TPSA59.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.67
H-Bond Donors ≤ 50
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 N-methyl-5-nitro-N-(2-phenylethyl)pyridin-2-amine?
The IUPAC name of N-methyl-5-nitro-N-(2-phenylethyl)pyridin-2-amine (CID 2848973) is N-methyl-5-nitro-N-(2-phenylethyl)pyridin-2-amine.
What is the SMILES notation for N-methyl-5-nitro-N-(2-phenylethyl)pyridin-2-amine?
The canonical SMILES for N-methyl-5-nitro-N-(2-phenylethyl)pyridin-2-amine is CN(CCc1ccccc1)c1ccc([N+](=O)[O-])cn1.
What is the InChIKey of N-methyl-5-nitro-N-(2-phenylethyl)pyridin-2-amine?
The InChIKey is QIGLMVKSHACNLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-16(10-9-12-5-3-2-4-6-12)14-8-7-13(11-15-14)17(18)19/h2-8,11H,9-10H2,1H3.
What are the key properties of N-methyl-5-nitro-N-(2-phenylethyl)pyridin-2-amine?
N-methyl-5-nitro-N-(2-phenylethyl)pyridin-2-amine has a molecular weight of 257.29 g/mol, XLogP of 2.67, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-nitro-N-(2-phenylethyl)pyridin-2-amine is sourced from PubChem (CID 2848973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).