N-[2-(2-ethylpiperidin-1-yl)ethyl]-4-methyl-5-nitropyridin-2-amine

C15H24N4O2 — CID 133339472

IUPACN-[2-(2-ethylpiperidin-1-yl)ethyl]-4-methyl-5-nitropyridin-2-amine
SMILESCCC1CCCCN1CCNc1cc(C)c([N+](=O)[O-])cn1
InChIInChI=1S/C15H24N4O2/c1-3-13-6-4-5-8-18(13)9-7-16-15-10-12(2)14(11-17-15)19(20)21/h10-11,13H,3-9H2,1-2H3,(H,16,17)
InChIKeyREONFIBQIWJMHQ-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.97
Rot. Bonds6

About N-[2-(2-ethylpiperidin-1-yl)ethyl]-4-methyl-5-nitropyridin-2-amine

N-[2-(2-ethylpiperidin-1-yl)ethyl]-4-methyl-5-nitropyridin-2-amine (PubChem CID 133339472) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is N-[2-(2-ethylpiperidin-1-yl)ethyl]-4-methyl-5-nitropyridin-2-amine.

Molecular Properties

Compound NameN-[2-(2-ethylpiperidin-1-yl)ethyl]-4-methyl-5-nitropyridin-2-amine
PubChem CID133339472
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC NameN-[2-(2-ethylpiperidin-1-yl)ethyl]-4-methyl-5-nitropyridin-2-amine
SMILESCCC1CCCCN1CCNc1cc(C)c([N+](=O)[O-])cn1
InChIInChI=1S/C15H24N4O2/c1-3-13-6-4-5-8-18(13)9-7-16-15-10-12(2)14(11-17-15)19(20)21/h10-11,13H,3-9H2,1-2H3,(H,16,17)
InChIKeyREONFIBQIWJMHQ-UHFFFAOYSA-N
XLogP2.97
TPSA71.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[2-(2-ethylpiperidin-1-yl)ethyl]-4-methyl-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

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-ethylpiperidin-1-yl)ethyl]-4-methyl-5-nitropyridin-2-amine?
The IUPAC name of N-[2-(2-ethylpiperidin-1-yl)ethyl]-4-methyl-5-nitropyridin-2-amine (CID 133339472) is N-[2-(2-ethylpiperidin-1-yl)ethyl]-4-methyl-5-nitropyridin-2-amine.
What is the SMILES notation for N-[2-(2-ethylpiperidin-1-yl)ethyl]-4-methyl-5-nitropyridin-2-amine?
The canonical SMILES for N-[2-(2-ethylpiperidin-1-yl)ethyl]-4-methyl-5-nitropyridin-2-amine is CCC1CCCCN1CCNc1cc(C)c([N+](=O)[O-])cn1.
What is the InChIKey of N-[2-(2-ethylpiperidin-1-yl)ethyl]-4-methyl-5-nitropyridin-2-amine?
The InChIKey is REONFIBQIWJMHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-3-13-6-4-5-8-18(13)9-7-16-15-10-12(2)14(11-17-15)19(20)21/h10-11,13H,3-9H2,1-2H3,(H,16,17).
What are the key properties of N-[2-(2-ethylpiperidin-1-yl)ethyl]-4-methyl-5-nitropyridin-2-amine?
N-[2-(2-ethylpiperidin-1-yl)ethyl]-4-methyl-5-nitropyridin-2-amine has a molecular weight of 292.38 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-ethylpiperidin-1-yl)ethyl]-4-methyl-5-nitropyridin-2-amine is sourced from PubChem (CID 133339472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).