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

C13H17N5O2 — CID 103578006

IUPAC6-[2-[cyclopropyl(ethyl)amino]ethylamino]-3-nitropyridine-2-carbonitrile
SMILESCCN(CCNc1ccc([N+](=O)[O-])c(C#N)n1)C1CC1
InChIInChI=1S/C13H17N5O2/c1-2-17(10-3-4-10)8-7-15-13-6-5-12(18(19)20)11(9-14)16-13/h5-6,10H,2-4,7-8H2,1H3,(H,15,16)
InChIKeyZKDQNYPFZQZEQW-UHFFFAOYSA-N
MW275.31 g/mol
LogP1.76
Rot. Bonds7

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

6-[2-[cyclopropyl(ethyl)amino]ethylamino]-3-nitropyridine-2-carbonitrile (PubChem CID 103578006) has the molecular formula C13H17N5O2 and a molecular weight of 275.31 g/mol. Its IUPAC name is 6-[2-[cyclopropyl(ethyl)amino]ethylamino]-3-nitropyridine-2-carbonitrile.

Molecular Properties

Compound Name6-[2-[cyclopropyl(ethyl)amino]ethylamino]-3-nitropyridine-2-carbonitrile
PubChem CID103578006
Molecular FormulaC13H17N5O2
Molecular Weight275.31 g/mol
Exact Mass275.14
IUPAC Name6-[2-[cyclopropyl(ethyl)amino]ethylamino]-3-nitropyridine-2-carbonitrile
SMILESCCN(CCNc1ccc([N+](=O)[O-])c(C#N)n1)C1CC1
InChIInChI=1S/C13H17N5O2/c1-2-17(10-3-4-10)8-7-15-13-6-5-12(18(19)20)11(9-14)16-13/h5-6,10H,2-4,7-8H2,1H3,(H,15,16)
InChIKeyZKDQNYPFZQZEQW-UHFFFAOYSA-N
XLogP1.76
TPSA95.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.76
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-[(4-ethylcyclohexyl)methylamino]-3-nitropyridine-2-carbonitrile
CID 103471316
6-[3-(cyclopropylamino)propylamino]-3-nitropyridine-2-carbonitrile
CID 103472204
N'-cyclopropyl-N'-ethyl-N-(6-methoxy-3-nitro-2-pyridinyl)ethane-1,2-diamine
CID 103739551
6-[(4-methylcyclohexyl)amino]-3-nitropyridine-2-carbonitrile
CID 103471198
6-[3-(2-methylpropoxy)propylamino]-3-nitropyridine-2-carbonitrile
CID 103577984
6-[(2-amino-2-ethylbutyl)amino]-3-nitropyridine-2-carbonitrile
CID 103472571
6-[(1-hydroxycyclohexyl)methylamino]-3-nitropyridine-2-carbonitrile
CID 103471774
2-[(6-cyano-5-nitro-2-pyridinyl)amino]-N-propylacetamide
CID 103471269
6-(1-cyclopropylbutan-2-ylamino)-3-nitropyridine-2-carbonitrile
CID 103471695
6-[2-[cyclopropyl(methyl)amino]ethoxy]-5-nitro-N-propylpyridin-2-amine
CID 102741257
N'-cyclopropyl-N'-ethyl-N-(5-nitroquinolin-8-yl)ethane-1,2-diamine
CID 133354869
6-[(2-ethylcyclohexyl)amino]-3-nitropyridine-2-carbonitrile
CID 103471422

Frequently Asked Questions

What is the IUPAC name of 6-[2-[cyclopropyl(ethyl)amino]ethylamino]-3-nitropyridine-2-carbonitrile?
The IUPAC name of 6-[2-[cyclopropyl(ethyl)amino]ethylamino]-3-nitropyridine-2-carbonitrile (CID 103578006) is 6-[2-[cyclopropyl(ethyl)amino]ethylamino]-3-nitropyridine-2-carbonitrile.
What is the SMILES notation for 6-[2-[cyclopropyl(ethyl)amino]ethylamino]-3-nitropyridine-2-carbonitrile?
The canonical SMILES for 6-[2-[cyclopropyl(ethyl)amino]ethylamino]-3-nitropyridine-2-carbonitrile is CCN(CCNc1ccc([N+](=O)[O-])c(C#N)n1)C1CC1.
What is the InChIKey of 6-[2-[cyclopropyl(ethyl)amino]ethylamino]-3-nitropyridine-2-carbonitrile?
The InChIKey is ZKDQNYPFZQZEQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O2/c1-2-17(10-3-4-10)8-7-15-13-6-5-12(18(19)20)11(9-14)16-13/h5-6,10H,2-4,7-8H2,1H3,(H,15,16).
What are the key properties of 6-[2-[cyclopropyl(ethyl)amino]ethylamino]-3-nitropyridine-2-carbonitrile?
6-[2-[cyclopropyl(ethyl)amino]ethylamino]-3-nitropyridine-2-carbonitrile has a molecular weight of 275.31 g/mol, XLogP of 1.76, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[cyclopropyl(ethyl)amino]ethylamino]-3-nitropyridine-2-carbonitrile is sourced from PubChem (CID 103578006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).