6-[2-[cyclopropyl(methyl)amino]ethoxy]-5-nitro-N-propylpyridin-2-amine

C14H22N4O3 — CID 102741257

IUPAC6-[2-[cyclopropyl(methyl)amino]ethoxy]-5-nitro-N-propylpyridin-2-amine
SMILESCCCNc1ccc([N+](=O)[O-])c(OCCN(C)C2CC2)n1
InChIInChI=1S/C14H22N4O3/c1-3-8-15-13-7-6-12(18(19)20)14(16-13)21-10-9-17(2)11-4-5-11/h6-7,11H,3-5,8-10H2,1-2H3,(H,15,16)
InChIKeyQFOKJZBVULYXSG-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.28
Rot. Bonds9

About 6-[2-[cyclopropyl(methyl)amino]ethoxy]-5-nitro-N-propylpyridin-2-amine

6-[2-[cyclopropyl(methyl)amino]ethoxy]-5-nitro-N-propylpyridin-2-amine (PubChem CID 102741257) has the molecular formula C14H22N4O3 and a molecular weight of 294.35 g/mol. Its IUPAC name is 6-[2-[cyclopropyl(methyl)amino]ethoxy]-5-nitro-N-propylpyridin-2-amine.

Molecular Properties

Compound Name6-[2-[cyclopropyl(methyl)amino]ethoxy]-5-nitro-N-propylpyridin-2-amine
PubChem CID102741257
Molecular FormulaC14H22N4O3
Molecular Weight294.35 g/mol
Exact Mass294.17
IUPAC Name6-[2-[cyclopropyl(methyl)amino]ethoxy]-5-nitro-N-propylpyridin-2-amine
SMILESCCCNc1ccc([N+](=O)[O-])c(OCCN(C)C2CC2)n1
InChIInChI=1S/C14H22N4O3/c1-3-8-15-13-7-6-12(18(19)20)14(16-13)21-10-9-17(2)11-4-5-11/h6-7,11H,3-5,8-10H2,1-2H3,(H,15,16)
InChIKeyQFOKJZBVULYXSG-UHFFFAOYSA-N
XLogP2.28
TPSA80.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

6-[2-[cyclopropyl(methyl)amino]ethoxy]-5-nitropyridine-2-carboxylic acid
CID 102739947
6-(4-methylcyclohexyl)oxy-5-nitro-N-propylpyridin-2-amine
CID 80844603
5-nitro-6-phenylmethoxy-N-propylpyridin-2-amine
CID 80845026
2-N-[2-[methyl(propan-2-yl)amino]ethyl]-3-nitro-6-N-propylpyridine-2,6-diamine
CID 80803530
6-(2-butoxyethoxy)-N-ethyl-5-nitropyridin-2-amine
CID 80861686
2-[cyclobutyl-[3-nitro-6-(propylamino)-2-pyridinyl]amino]ethanol
CID 102875746
2-N-(4-methylcyclohexyl)-3-nitro-6-N-propylpyridine-2,6-diamine
CID 80771612
2-N-(3-ethoxypropyl)-3-nitro-6-N-propylpyridine-2,6-diamine
CID 80771809
2-[[6-(ethylamino)-3-nitro-2-pyridinyl]oxy]ethanol
CID 80859500
6-[2-[cyclopropyl(ethyl)amino]ethylamino]-3-nitropyridine-2-carbonitrile
CID 103578006
6-(cyclopentylmethoxy)-N-ethyl-5-nitropyridin-2-amine
CID 80878288
6-[(1-methyl-1,2,4-triazol-3-yl)oxy]-5-nitro-N-propylpyridin-2-amine
CID 106598821

Frequently Asked Questions

What is the IUPAC name of 6-[2-[cyclopropyl(methyl)amino]ethoxy]-5-nitro-N-propylpyridin-2-amine?
The IUPAC name of 6-[2-[cyclopropyl(methyl)amino]ethoxy]-5-nitro-N-propylpyridin-2-amine (CID 102741257) is 6-[2-[cyclopropyl(methyl)amino]ethoxy]-5-nitro-N-propylpyridin-2-amine.
What is the SMILES notation for 6-[2-[cyclopropyl(methyl)amino]ethoxy]-5-nitro-N-propylpyridin-2-amine?
The canonical SMILES for 6-[2-[cyclopropyl(methyl)amino]ethoxy]-5-nitro-N-propylpyridin-2-amine is CCCNc1ccc([N+](=O)[O-])c(OCCN(C)C2CC2)n1.
What is the InChIKey of 6-[2-[cyclopropyl(methyl)amino]ethoxy]-5-nitro-N-propylpyridin-2-amine?
The InChIKey is QFOKJZBVULYXSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O3/c1-3-8-15-13-7-6-12(18(19)20)14(16-13)21-10-9-17(2)11-4-5-11/h6-7,11H,3-5,8-10H2,1-2H3,(H,15,16).
What are the key properties of 6-[2-[cyclopropyl(methyl)amino]ethoxy]-5-nitro-N-propylpyridin-2-amine?
6-[2-[cyclopropyl(methyl)amino]ethoxy]-5-nitro-N-propylpyridin-2-amine has a molecular weight of 294.35 g/mol, XLogP of 2.28, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[cyclopropyl(methyl)amino]ethoxy]-5-nitro-N-propylpyridin-2-amine is sourced from PubChem (CID 102741257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).