2-N-(3-ethoxypropyl)-3-nitro-6-N-propylpyridine-2,6-diamine

C13H22N4O3 — CID 80771809

IUPAC2-N-(3-ethoxypropyl)-3-nitro-6-N-propylpyridine-2,6-diamine
SMILESCCCNc1ccc([N+](=O)[O-])c(NCCCOCC)n1
InChIInChI=1S/C13H22N4O3/c1-3-8-14-12-7-6-11(17(18)19)13(16-12)15-9-5-10-20-4-2/h6-7H,3-5,8-10H2,1-2H3,(H2,14,15,16)
InChIKeyGGPWDFSUWHSKSS-UHFFFAOYSA-N
MW282.34 g/mol
LogP2.65
Rot. Bonds10

About 2-N-(3-ethoxypropyl)-3-nitro-6-N-propylpyridine-2,6-diamine

2-N-(3-ethoxypropyl)-3-nitro-6-N-propylpyridine-2,6-diamine (PubChem CID 80771809) has the molecular formula C13H22N4O3 and a molecular weight of 282.34 g/mol. Its IUPAC name is 2-N-(3-ethoxypropyl)-3-nitro-6-N-propylpyridine-2,6-diamine.

Molecular Properties

Compound Name2-N-(3-ethoxypropyl)-3-nitro-6-N-propylpyridine-2,6-diamine
PubChem CID80771809
Molecular FormulaC13H22N4O3
Molecular Weight282.34 g/mol
Exact Mass282.17
IUPAC Name2-N-(3-ethoxypropyl)-3-nitro-6-N-propylpyridine-2,6-diamine
SMILESCCCNc1ccc([N+](=O)[O-])c(NCCCOCC)n1
InChIInChI=1S/C13H22N4O3/c1-3-8-14-12-7-6-11(17(18)19)13(16-12)15-9-5-10-20-4-2/h6-7H,3-5,8-10H2,1-2H3,(H2,14,15,16)
InChIKeyGGPWDFSUWHSKSS-UHFFFAOYSA-N
XLogP2.65
TPSA89.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[3-[[3-nitro-6-(propylamino)-2-pyridinyl]amino]propoxy]ethanol
CID 106311526
6-N-ethyl-3-nitro-2-N-(3-propoxypropyl)pyridine-2,6-diamine
CID 82947445
N-(3-ethoxypropyl)-6-methyl-5-nitropyridin-2-amine
CID 80719198
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
6-methyl-5-nitro-N-(3-propoxypropyl)pyridin-2-amine
CID 82944671
2-N-[2-[methyl(propan-2-yl)amino]ethyl]-3-nitro-6-N-propylpyridine-2,6-diamine
CID 80803530
3-nitro-2-N-(3-propoxypropyl)pyridine-2,6-diamine
CID 82946841
2-[[3-nitro-6-(propylamino)-2-pyridinyl]amino]ethanesulfonamide
CID 80788349
2-methyl-1-[[3-nitro-6-(propylamino)-2-pyridinyl]amino]propan-2-ol
CID 80841652
2-N-(1-methoxypropan-2-yl)-3-nitro-6-N-propylpyridine-2,6-diamine
CID 80786716
6-chloro-N-(2-ethoxyethyl)-3-nitropyridin-2-amine
CID 43591616

Frequently Asked Questions

What is the IUPAC name of 2-N-(3-ethoxypropyl)-3-nitro-6-N-propylpyridine-2,6-diamine?
The IUPAC name of 2-N-(3-ethoxypropyl)-3-nitro-6-N-propylpyridine-2,6-diamine (CID 80771809) is 2-N-(3-ethoxypropyl)-3-nitro-6-N-propylpyridine-2,6-diamine.
What is the SMILES notation for 2-N-(3-ethoxypropyl)-3-nitro-6-N-propylpyridine-2,6-diamine?
The canonical SMILES for 2-N-(3-ethoxypropyl)-3-nitro-6-N-propylpyridine-2,6-diamine is CCCNc1ccc([N+](=O)[O-])c(NCCCOCC)n1.
What is the InChIKey of 2-N-(3-ethoxypropyl)-3-nitro-6-N-propylpyridine-2,6-diamine?
The InChIKey is GGPWDFSUWHSKSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O3/c1-3-8-14-12-7-6-11(17(18)19)13(16-12)15-9-5-10-20-4-2/h6-7H,3-5,8-10H2,1-2H3,(H2,14,15,16).
What are the key properties of 2-N-(3-ethoxypropyl)-3-nitro-6-N-propylpyridine-2,6-diamine?
2-N-(3-ethoxypropyl)-3-nitro-6-N-propylpyridine-2,6-diamine has a molecular weight of 282.34 g/mol, XLogP of 2.65, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3-ethoxypropyl)-3-nitro-6-N-propylpyridine-2,6-diamine is sourced from PubChem (CID 80771809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).