6-butyl-5-nitro-N-propylpyridin-2-amine

C12H19N3O2 — CID 106659336

IUPAC6-butyl-5-nitro-N-propylpyridin-2-amine
SMILESCCCCc1nc(NCCC)ccc1[N+](=O)[O-]
InChIInChI=1S/C12H19N3O2/c1-3-5-6-10-11(15(16)17)7-8-12(14-10)13-9-4-2/h7-8H,3-6,9H2,1-2H3,(H,13,14)
InChIKeyZYEYLHJPGQMSGE-UHFFFAOYSA-N
MW237.30 g/mol
LogP3.15
Rot. Bonds7

About 6-butyl-5-nitro-N-propylpyridin-2-amine

6-butyl-5-nitro-N-propylpyridin-2-amine (PubChem CID 106659336) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 6-butyl-5-nitro-N-propylpyridin-2-amine.

Molecular Properties

Compound Name6-butyl-5-nitro-N-propylpyridin-2-amine
PubChem CID106659336
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name6-butyl-5-nitro-N-propylpyridin-2-amine
SMILESCCCCc1nc(NCCC)ccc1[N+](=O)[O-]
InChIInChI=1S/C12H19N3O2/c1-3-5-6-10-11(15(16)17)7-8-12(14-10)13-9-4-2/h7-8H,3-6,9H2,1-2H3,(H,13,14)
InChIKeyZYEYLHJPGQMSGE-UHFFFAOYSA-N
XLogP3.15
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 53.15
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 6-butyl-5-nitro-N-propylpyridin-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

Related Compounds

6-N-butyl-3-nitropyridine-2,6-diamine
CID 79827989
3-nitro-6-N-octylpyridine-2,6-diamine
CID 110180521
2-methyl-1-[[3-nitro-6-(propylamino)-2-pyridinyl]amino]propan-2-ol
CID 80841652
3-nitro-2-N-phenyl-6-N-propylpyridine-2,6-diamine
CID 80768548
2-N-(3-ethoxypropyl)-3-nitro-6-N-propylpyridine-2,6-diamine
CID 80771809
2-N-(3-methylsulfonylpropyl)-3-nitro-6-N-propylpyridine-2,6-diamine
CID 80790516
5-[[3-nitro-6-(propylamino)-2-pyridinyl]amino]pentanamide
CID 106241671
2-N-ethyl-3-nitro-2-N-propan-2-yl-6-N-propylpyridine-2,6-diamine
CID 80775846
6-butan-2-ylsulfanyl-5-nitro-N-propylpyridin-2-amine
CID 80888313
6-methyl-5-nitro-N-(3-propoxypropyl)pyridin-2-amine
CID 82944671
2-[[3-nitro-6-(propylamino)-2-pyridinyl]amino]ethanesulfonamide
CID 80788349
5-nitro-6-phenylmethoxy-N-propylpyridin-2-amine
CID 80845026

Frequently Asked Questions

What is the IUPAC name of 6-butyl-5-nitro-N-propylpyridin-2-amine?
The IUPAC name of 6-butyl-5-nitro-N-propylpyridin-2-amine (CID 106659336) is 6-butyl-5-nitro-N-propylpyridin-2-amine.
What is the SMILES notation for 6-butyl-5-nitro-N-propylpyridin-2-amine?
The canonical SMILES for 6-butyl-5-nitro-N-propylpyridin-2-amine is CCCCc1nc(NCCC)ccc1[N+](=O)[O-].
What is the InChIKey of 6-butyl-5-nitro-N-propylpyridin-2-amine?
The InChIKey is ZYEYLHJPGQMSGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-3-5-6-10-11(15(16)17)7-8-12(14-10)13-9-4-2/h7-8H,3-6,9H2,1-2H3,(H,13,14).
What are the key properties of 6-butyl-5-nitro-N-propylpyridin-2-amine?
6-butyl-5-nitro-N-propylpyridin-2-amine has a molecular weight of 237.30 g/mol, XLogP of 3.15, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butyl-5-nitro-N-propylpyridin-2-amine is sourced from PubChem (CID 106659336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).