2-N-ethyl-3-nitro-2-N-propan-2-yl-6-N-propylpyridine-2,6-diamine

C13H22N4O2 — CID 80775846

IUPAC2-N-ethyl-3-nitro-2-N-propan-2-yl-6-N-propylpyridine-2,6-diamine
SMILESCCCNc1ccc([N+](=O)[O-])c(N(CC)C(C)C)n1
InChIInChI=1S/C13H22N4O2/c1-5-9-14-12-8-7-11(17(18)19)13(15-12)16(6-2)10(3)4/h7-8,10H,5-6,9H2,1-4H3,(H,14,15)
InChIKeyFIJJWMNBLWSIDJ-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.05
Rot. Bonds7

About 2-N-ethyl-3-nitro-2-N-propan-2-yl-6-N-propylpyridine-2,6-diamine

2-N-ethyl-3-nitro-2-N-propan-2-yl-6-N-propylpyridine-2,6-diamine (PubChem CID 80775846) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 2-N-ethyl-3-nitro-2-N-propan-2-yl-6-N-propylpyridine-2,6-diamine.

Molecular Properties

Compound Name2-N-ethyl-3-nitro-2-N-propan-2-yl-6-N-propylpyridine-2,6-diamine
PubChem CID80775846
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Name2-N-ethyl-3-nitro-2-N-propan-2-yl-6-N-propylpyridine-2,6-diamine
SMILESCCCNc1ccc([N+](=O)[O-])c(N(CC)C(C)C)n1
InChIInChI=1S/C13H22N4O2/c1-5-9-14-12-8-7-11(17(18)19)13(15-12)16(6-2)10(3)4/h7-8,10H,5-6,9H2,1-4H3,(H,14,15)
InChIKeyFIJJWMNBLWSIDJ-UHFFFAOYSA-N
XLogP3.05
TPSA71.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.05
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 2-N-ethyl-3-nitro-2-N-propan-2-yl-6-N-propylpyridine-2,6-diamine 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

2-N-benzyl-3-nitro-2-N-propan-2-yl-6-N-propylpyridine-2,6-diamine
CID 113258948
2-[[3-nitro-6-(propylamino)-2-pyridinyl]-propylamino]ethanol
CID 80795713
2-N-methyl-2-N-(1-methylsulfanylbutan-2-yl)-3-nitro-6-N-propylpyridine-2,6-diamine
CID 115988738
2-N-butan-2-yl-2-N-butyl-6-N-ethyl-3-nitropyridine-2,6-diamine
CID 80788368
2-N-[2-[methyl(propan-2-yl)amino]ethyl]-3-nitro-6-N-propylpyridine-2,6-diamine
CID 80803530
6-butan-2-ylsulfanyl-5-nitro-N-propylpyridin-2-amine
CID 80888313
6-butyl-5-nitro-N-propylpyridin-2-amine
CID 106659336
2-N-butan-2-yl-6-N-ethyl-2-N-methyl-3-nitropyridine-2,6-diamine
CID 80774148
6-hydrazinyl-3-nitro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridin-2-amine
CID 80902169
4-methyl-1-[[3-nitro-6-(propylamino)-2-pyridinyl]amino]pentan-2-ol
CID 107159646
2-[cyclobutyl-[3-nitro-6-(propylamino)-2-pyridinyl]amino]ethanol
CID 102875746
2-N-butan-2-yl-6-N-ethyl-2-N-(2-methoxyethyl)-3-nitropyridine-2,6-diamine
CID 80787747

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-3-nitro-2-N-propan-2-yl-6-N-propylpyridine-2,6-diamine?
The IUPAC name of 2-N-ethyl-3-nitro-2-N-propan-2-yl-6-N-propylpyridine-2,6-diamine (CID 80775846) is 2-N-ethyl-3-nitro-2-N-propan-2-yl-6-N-propylpyridine-2,6-diamine.
What is the SMILES notation for 2-N-ethyl-3-nitro-2-N-propan-2-yl-6-N-propylpyridine-2,6-diamine?
The canonical SMILES for 2-N-ethyl-3-nitro-2-N-propan-2-yl-6-N-propylpyridine-2,6-diamine is CCCNc1ccc([N+](=O)[O-])c(N(CC)C(C)C)n1.
What is the InChIKey of 2-N-ethyl-3-nitro-2-N-propan-2-yl-6-N-propylpyridine-2,6-diamine?
The InChIKey is FIJJWMNBLWSIDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-5-9-14-12-8-7-11(17(18)19)13(15-12)16(6-2)10(3)4/h7-8,10H,5-6,9H2,1-4H3,(H,14,15).
What are the key properties of 2-N-ethyl-3-nitro-2-N-propan-2-yl-6-N-propylpyridine-2,6-diamine?
2-N-ethyl-3-nitro-2-N-propan-2-yl-6-N-propylpyridine-2,6-diamine has a molecular weight of 266.34 g/mol, XLogP of 3.05, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-3-nitro-2-N-propan-2-yl-6-N-propylpyridine-2,6-diamine is sourced from PubChem (CID 80775846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).