3-nitro-2-N-(2-pyridin-3-ylethyl)pyridine-2,6-diamine

C12H13N5O2 — CID 80790211

IUPAC3-nitro-2-N-(2-pyridin-3-ylethyl)pyridine-2,6-diamine
SMILESNc1ccc([N+](=O)[O-])c(NCCc2cccnc2)n1
InChIInChI=1S/C12H13N5O2/c13-11-4-3-10(17(18)19)12(16-11)15-7-5-9-2-1-6-14-8-9/h1-4,6,8H,5,7H2,(H3,13,15,16)
InChIKeyQCGMCLNROJYIFW-UHFFFAOYSA-N
MW259.27 g/mol
LogP1.62
Rot. Bonds5

About 3-nitro-2-N-(2-pyridin-3-ylethyl)pyridine-2,6-diamine

3-nitro-2-N-(2-pyridin-3-ylethyl)pyridine-2,6-diamine (PubChem CID 80790211) has the molecular formula C12H13N5O2 and a molecular weight of 259.27 g/mol. Its IUPAC name is 3-nitro-2-N-(2-pyridin-3-ylethyl)pyridine-2,6-diamine.

Molecular Properties

Compound Name3-nitro-2-N-(2-pyridin-3-ylethyl)pyridine-2,6-diamine
PubChem CID80790211
Molecular FormulaC12H13N5O2
Molecular Weight259.27 g/mol
Exact Mass259.11
IUPAC Name3-nitro-2-N-(2-pyridin-3-ylethyl)pyridine-2,6-diamine
SMILESNc1ccc([N+](=O)[O-])c(NCCc2cccnc2)n1
InChIInChI=1S/C12H13N5O2/c13-11-4-3-10(17(18)19)12(16-11)15-7-5-9-2-1-6-14-8-9/h1-4,6,8H,5,7H2,(H3,13,15,16)
InChIKeyQCGMCLNROJYIFW-UHFFFAOYSA-N
XLogP1.62
TPSA106.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 51.62
H-Bond Donors ≤ 52
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-N-methyl-3-nitro-2-N-(2-pyridin-3-ylethyl)pyridine-2,6-diamine
CID 80790541
2-N-[2-(3,5-difluorophenyl)ethyl]-3-nitropyridine-2,6-diamine
CID 80803855
6-chloro-3-nitro-N-(pyridin-3-ylmethyl)pyridin-2-amine
CID 24904008
6-methyl-5-nitro-N-(2-pyridin-3-ylethyl)pyridin-2-amine
CID 80718289
3-nitro-6-(2-pyridin-3-ylethylamino)pyridine-2-carbonitrile
CID 103471291
3-nitro-2-N-(2-pyrazol-1-ylethyl)pyridine-2,6-diamine
CID 80809598
2,3-difluoro-6-nitro-N-(2-pyridin-3-ylethyl)aniline
CID 62533658
3-nitro-2-N-pentylpyridine-2,6-diamine
CID 80786425
2-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-3-nitropyridine-2,6-diamine
CID 106424187
6-N-[(2,4-dimethoxyphenyl)methyl]-3-nitro-2-N-(2-pyridin-3-ylethyl)pyridine-2,6-diamine
CID 68806763
2-methyl-4-N-(2-pyridin-3-ylethyl)-1H-imidazole-4,5-diamine
CID 82239168
2-N-isoquinolin-8-yl-3-nitropyridine-2,6-diamine
CID 80840181

Frequently Asked Questions

What is the IUPAC name of 3-nitro-2-N-(2-pyridin-3-ylethyl)pyridine-2,6-diamine?
The IUPAC name of 3-nitro-2-N-(2-pyridin-3-ylethyl)pyridine-2,6-diamine (CID 80790211) is 3-nitro-2-N-(2-pyridin-3-ylethyl)pyridine-2,6-diamine.
What is the SMILES notation for 3-nitro-2-N-(2-pyridin-3-ylethyl)pyridine-2,6-diamine?
The canonical SMILES for 3-nitro-2-N-(2-pyridin-3-ylethyl)pyridine-2,6-diamine is Nc1ccc([N+](=O)[O-])c(NCCc2cccnc2)n1.
What is the InChIKey of 3-nitro-2-N-(2-pyridin-3-ylethyl)pyridine-2,6-diamine?
The InChIKey is QCGMCLNROJYIFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5O2/c13-11-4-3-10(17(18)19)12(16-11)15-7-5-9-2-1-6-14-8-9/h1-4,6,8H,5,7H2,(H3,13,15,16).
What are the key properties of 3-nitro-2-N-(2-pyridin-3-ylethyl)pyridine-2,6-diamine?
3-nitro-2-N-(2-pyridin-3-ylethyl)pyridine-2,6-diamine has a molecular weight of 259.27 g/mol, XLogP of 1.62, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nitro-2-N-(2-pyridin-3-ylethyl)pyridine-2,6-diamine is sourced from PubChem (CID 80790211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).