3-nitro-N-pentan-2-ylpyridin-4-amine

C10H15N3O2 — CID 43114081

IUPAC3-nitro-N-pentan-2-ylpyridin-4-amine
SMILESCCCC(C)Nc1ccncc1[N+](=O)[O-]
InChIInChI=1S/C10H15N3O2/c1-3-4-8(2)12-9-5-6-11-7-10(9)13(14)15/h5-8H,3-4H2,1-2H3,(H,11,12)
InChIKeySZBXLITVWXIAJZ-UHFFFAOYSA-N
MW209.25 g/mol
LogP2.59
Rot. Bonds5

About 3-nitro-N-pentan-2-ylpyridin-4-amine

3-nitro-N-pentan-2-ylpyridin-4-amine (PubChem CID 43114081) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 3-nitro-N-pentan-2-ylpyridin-4-amine.

Molecular Properties

Compound Name3-nitro-N-pentan-2-ylpyridin-4-amine
PubChem CID43114081
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name3-nitro-N-pentan-2-ylpyridin-4-amine
SMILESCCCC(C)Nc1ccncc1[N+](=O)[O-]
InChIInChI=1S/C10H15N3O2/c1-3-4-8(2)12-9-5-6-11-7-10(9)13(14)15/h5-8H,3-4H2,1-2H3,(H,11,12)
InChIKeySZBXLITVWXIAJZ-UHFFFAOYSA-N
XLogP2.59
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 52.59
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-nitro-N-pentan-2-ylpyridin-4-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

N-(3-ethylpentan-2-yl)-3-nitropyridin-4-amine
CID 63838871
N-[1-(4-fluorophenyl)propan-2-yl]-3-nitropyridin-4-amine
CID 62994861
4-methyl-3-[(3-nitro-4-pyridinyl)amino]pentan-1-ol
CID 103703895
N-(1-imidazol-1-ylpropan-2-yl)-3-nitropyridin-4-amine
CID 54958624
2-[(3-nitro-4-pyridinyl)amino]butan-1-ol
CID 43500161
4,4-dimethyl-3-[(3-nitro-4-pyridinyl)amino]pentan-1-ol
CID 114177080
N-(5-methylhexyl)-3-nitropyridin-4-amine
CID 79003361
N,N-dimethyl-2-[(3-nitro-4-pyridinyl)amino]propanamide
CID 54950233
5-fluoro-2-nitro-N-pentan-2-ylaniline
CID 62377790
N-butan-2-yl-8-nitroisoquinolin-5-amine
CID 43386182
methyl 3-hydroxy-2-[(3-nitro-4-pyridinyl)amino]propanoate
CID 62005492
N-(3-nitro-4-pyridinyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 28889726

Frequently Asked Questions

What is the IUPAC name of 3-nitro-N-pentan-2-ylpyridin-4-amine?
The IUPAC name of 3-nitro-N-pentan-2-ylpyridin-4-amine (CID 43114081) is 3-nitro-N-pentan-2-ylpyridin-4-amine.
What is the SMILES notation for 3-nitro-N-pentan-2-ylpyridin-4-amine?
The canonical SMILES for 3-nitro-N-pentan-2-ylpyridin-4-amine is CCCC(C)Nc1ccncc1[N+](=O)[O-].
What is the InChIKey of 3-nitro-N-pentan-2-ylpyridin-4-amine?
The InChIKey is SZBXLITVWXIAJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-3-4-8(2)12-9-5-6-11-7-10(9)13(14)15/h5-8H,3-4H2,1-2H3,(H,11,12).
What are the key properties of 3-nitro-N-pentan-2-ylpyridin-4-amine?
3-nitro-N-pentan-2-ylpyridin-4-amine has a molecular weight of 209.25 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nitro-N-pentan-2-ylpyridin-4-amine is sourced from PubChem (CID 43114081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).