6-[ethyl(3-hydroxypropyl)amino]-3-nitropyridine-2-carbonitrile

C11H14N4O3 — CID 103472967

IUPAC6-[ethyl(3-hydroxypropyl)amino]-3-nitropyridine-2-carbonitrile
SMILESCCN(CCCO)c1ccc([N+](=O)[O-])c(C#N)n1
InChIInChI=1S/C11H14N4O3/c1-2-14(6-3-7-16)11-5-4-10(15(17)18)9(8-12)13-11/h4-5,16H,2-3,6-7H2,1H3
InChIKeyQURRBXBYVPURKO-UHFFFAOYSA-N
MW250.26 g/mol
LogP1.07
Rot. Bonds6

About 6-[ethyl(3-hydroxypropyl)amino]-3-nitropyridine-2-carbonitrile

6-[ethyl(3-hydroxypropyl)amino]-3-nitropyridine-2-carbonitrile (PubChem CID 103472967) has the molecular formula C11H14N4O3 and a molecular weight of 250.26 g/mol. Its IUPAC name is 6-[ethyl(3-hydroxypropyl)amino]-3-nitropyridine-2-carbonitrile.

Molecular Properties

Compound Name6-[ethyl(3-hydroxypropyl)amino]-3-nitropyridine-2-carbonitrile
PubChem CID103472967
Molecular FormulaC11H14N4O3
Molecular Weight250.26 g/mol
Exact Mass250.11
IUPAC Name6-[ethyl(3-hydroxypropyl)amino]-3-nitropyridine-2-carbonitrile
SMILESCCN(CCCO)c1ccc([N+](=O)[O-])c(C#N)n1
InChIInChI=1S/C11H14N4O3/c1-2-14(6-3-7-16)11-5-4-10(15(17)18)9(8-12)13-11/h4-5,16H,2-3,6-7H2,1H3
InChIKeyQURRBXBYVPURKO-UHFFFAOYSA-N
XLogP1.07
TPSA103.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 51.07
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

3-[ethyl-(6-methyl-5-nitro-2-pyridinyl)amino]propanenitrile
CID 80711760
3-(N-ethyl-4-methyl-3-nitroanilino)propan-1-ol
CID 113468956
3-amino-6-[butyl(2-hydroxyethyl)amino]pyridine-2-carbonitrile
CID 103467827
3-[(6-amino-5-nitro-2-pyridinyl)-ethylamino]-2-methylpropanenitrile
CID 79826290
2-[(6-amino-3-nitro-2-pyridinyl)-ethylamino]ethanol
CID 80790273
6-[[1-(hydroxymethyl)cyclobutyl]amino]-3-nitropyridine-2-carbonitrile
CID 103472094
6-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-3-nitropyridine-2-carbonitrile
CID 103578070
2-[butyl-(6-methyl-3-nitro-2-pyridinyl)amino]ethanol
CID 81136682
6-[2-[cyclopropyl(ethyl)amino]ethylamino]-3-nitropyridine-2-carbonitrile
CID 103578006
6-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-3-nitropyridine-2-carbonitrile
CID 103472222
3-(3-cyano-N-ethyl-4-nitroanilino)propanoic acid
CID 115499893
6-[butyl(2-hydroxyethyl)amino]-5-nitropyridine-3-carbonitrile
CID 103472842

Frequently Asked Questions

What is the IUPAC name of 6-[ethyl(3-hydroxypropyl)amino]-3-nitropyridine-2-carbonitrile?
The IUPAC name of 6-[ethyl(3-hydroxypropyl)amino]-3-nitropyridine-2-carbonitrile (CID 103472967) is 6-[ethyl(3-hydroxypropyl)amino]-3-nitropyridine-2-carbonitrile.
What is the SMILES notation for 6-[ethyl(3-hydroxypropyl)amino]-3-nitropyridine-2-carbonitrile?
The canonical SMILES for 6-[ethyl(3-hydroxypropyl)amino]-3-nitropyridine-2-carbonitrile is CCN(CCCO)c1ccc([N+](=O)[O-])c(C#N)n1.
What is the InChIKey of 6-[ethyl(3-hydroxypropyl)amino]-3-nitropyridine-2-carbonitrile?
The InChIKey is QURRBXBYVPURKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O3/c1-2-14(6-3-7-16)11-5-4-10(15(17)18)9(8-12)13-11/h4-5,16H,2-3,6-7H2,1H3.
What are the key properties of 6-[ethyl(3-hydroxypropyl)amino]-3-nitropyridine-2-carbonitrile?
6-[ethyl(3-hydroxypropyl)amino]-3-nitropyridine-2-carbonitrile has a molecular weight of 250.26 g/mol, XLogP of 1.07, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[ethyl(3-hydroxypropyl)amino]-3-nitropyridine-2-carbonitrile is sourced from PubChem (CID 103472967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).