3-nitro-6-(2-pyridin-3-ylethylamino)pyridine-2-carbonitrile

C13H11N5O2 — CID 103471291

IUPAC3-nitro-6-(2-pyridin-3-ylethylamino)pyridine-2-carbonitrile
SMILESN#Cc1nc(NCCc2cccnc2)ccc1[N+](=O)[O-]
InChIInChI=1S/C13H11N5O2/c14-8-11-12(18(19)20)3-4-13(17-11)16-7-5-10-2-1-6-15-9-10/h1-4,6,9H,5,7H2,(H,16,17)
InChIKeyZNNXYZUQXXNHKS-UHFFFAOYSA-N
MW269.26 g/mol
LogP1.91
Rot. Bonds5

About 3-nitro-6-(2-pyridin-3-ylethylamino)pyridine-2-carbonitrile

3-nitro-6-(2-pyridin-3-ylethylamino)pyridine-2-carbonitrile (PubChem CID 103471291) has the molecular formula C13H11N5O2 and a molecular weight of 269.26 g/mol. Its IUPAC name is 3-nitro-6-(2-pyridin-3-ylethylamino)pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-nitro-6-(2-pyridin-3-ylethylamino)pyridine-2-carbonitrile
PubChem CID103471291
Molecular FormulaC13H11N5O2
Molecular Weight269.26 g/mol
Exact Mass269.09
IUPAC Name3-nitro-6-(2-pyridin-3-ylethylamino)pyridine-2-carbonitrile
SMILESN#Cc1nc(NCCc2cccnc2)ccc1[N+](=O)[O-]
InChIInChI=1S/C13H11N5O2/c14-8-11-12(18(19)20)3-4-13(17-11)16-7-5-10-2-1-6-15-9-10/h1-4,6,9H,5,7H2,(H,16,17)
InChIKeyZNNXYZUQXXNHKS-UHFFFAOYSA-N
XLogP1.91
TPSA104.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 51.91
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-methyl-5-nitro-N-(2-pyridin-3-ylethyl)pyridin-2-amine
CID 80718289
6-N-methyl-3-nitro-2-N-(2-pyridin-3-ylethyl)pyridine-2,6-diamine
CID 80790541
3-nitro-2-N-(2-pyridin-3-ylethyl)pyridine-2,6-diamine
CID 80790211
6-[2-(cyclopenten-1-yl)ethylamino]-3-nitropyridine-2-carbonitrile
CID 103578069
6-methyl-5-nitro-N-(pyridin-3-ylmethyl)pyridin-2-amine
CID 80718550
2,3-difluoro-6-nitro-N-(2-pyridin-3-ylethyl)aniline
CID 62533658
6-[(4-aminophenyl)methylamino]-3-nitropyridine-2-carbonitrile
CID 103472658
6-[3-(cyclopropylamino)propylamino]-3-nitropyridine-2-carbonitrile
CID 103472204
6-[2-(4-methylpyrazol-1-yl)ethylamino]-3-nitropyridine-2-carbonitrile
CID 103578011
2-(2-pyridin-3-ylethylamino)pyridine-3-carbonitrile
CID 60725697
6-[(3,4-difluorophenyl)methylamino]-3-nitropyridine-2-carbonitrile
CID 103471499
2-chloro-4-nitro-N-(2-pyridin-3-ylethyl)aniline
CID 31408601

Frequently Asked Questions

What is the IUPAC name of 3-nitro-6-(2-pyridin-3-ylethylamino)pyridine-2-carbonitrile?
The IUPAC name of 3-nitro-6-(2-pyridin-3-ylethylamino)pyridine-2-carbonitrile (CID 103471291) is 3-nitro-6-(2-pyridin-3-ylethylamino)pyridine-2-carbonitrile.
What is the SMILES notation for 3-nitro-6-(2-pyridin-3-ylethylamino)pyridine-2-carbonitrile?
The canonical SMILES for 3-nitro-6-(2-pyridin-3-ylethylamino)pyridine-2-carbonitrile is N#Cc1nc(NCCc2cccnc2)ccc1[N+](=O)[O-].
What is the InChIKey of 3-nitro-6-(2-pyridin-3-ylethylamino)pyridine-2-carbonitrile?
The InChIKey is ZNNXYZUQXXNHKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N5O2/c14-8-11-12(18(19)20)3-4-13(17-11)16-7-5-10-2-1-6-15-9-10/h1-4,6,9H,5,7H2,(H,16,17).
What are the key properties of 3-nitro-6-(2-pyridin-3-ylethylamino)pyridine-2-carbonitrile?
3-nitro-6-(2-pyridin-3-ylethylamino)pyridine-2-carbonitrile has a molecular weight of 269.26 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nitro-6-(2-pyridin-3-ylethylamino)pyridine-2-carbonitrile is sourced from PubChem (CID 103471291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).