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

C13H15N5O2 — CID 80790541

IUPAC6-N-methyl-3-nitro-2-N-(2-pyridin-3-ylethyl)pyridine-2,6-diamine
SMILESCNc1ccc([N+](=O)[O-])c(NCCc2cccnc2)n1
InChIInChI=1S/C13H15N5O2/c1-14-12-5-4-11(18(19)20)13(17-12)16-8-6-10-3-2-7-15-9-10/h2-5,7,9H,6,8H2,1H3,(H2,14,16,17)
InChIKeyNXLKCQMKXWUYON-UHFFFAOYSA-N
MW273.30 g/mol
LogP2.08
Rot. Bonds6

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

6-N-methyl-3-nitro-2-N-(2-pyridin-3-ylethyl)pyridine-2,6-diamine (PubChem CID 80790541) has the molecular formula C13H15N5O2 and a molecular weight of 273.30 g/mol. Its IUPAC name is 6-N-methyl-3-nitro-2-N-(2-pyridin-3-ylethyl)pyridine-2,6-diamine.

Molecular Properties

Compound Name6-N-methyl-3-nitro-2-N-(2-pyridin-3-ylethyl)pyridine-2,6-diamine
PubChem CID80790541
Molecular FormulaC13H15N5O2
Molecular Weight273.30 g/mol
Exact Mass273.12
IUPAC Name6-N-methyl-3-nitro-2-N-(2-pyridin-3-ylethyl)pyridine-2,6-diamine
SMILESCNc1ccc([N+](=O)[O-])c(NCCc2cccnc2)n1
InChIInChI=1S/C13H15N5O2/c1-14-12-5-4-11(18(19)20)13(17-12)16-8-6-10-3-2-7-15-9-10/h2-5,7,9H,6,8H2,1H3,(H2,14,16,17)
InChIKeyNXLKCQMKXWUYON-UHFFFAOYSA-N
XLogP2.08
TPSA92.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 52.08
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

3-nitro-2-N-(2-pyridin-3-ylethyl)pyridine-2,6-diamine
CID 80790211
6-methyl-5-nitro-N-(2-pyridin-3-ylethyl)pyridin-2-amine
CID 80718289
6-N-[(2,4-dimethoxyphenyl)methyl]-3-nitro-2-N-(2-pyridin-3-ylethyl)pyridine-2,6-diamine
CID 68806763
3-nitro-6-(2-pyridin-3-ylethylamino)pyridine-2-carbonitrile
CID 103471291
6-N-methyl-3-nitro-2-N-(2-pyrazol-1-ylethyl)pyridine-2,6-diamine
CID 80808342
2-N-(2-imidazol-1-ylethyl)-6-N-methyl-3-nitropyridine-2,6-diamine
CID 80808353
6-N-methyl-2-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-3-nitropyridine-2,6-diamine
CID 80853815
2-N-(2-cyclopropylethyl)-6-N-methyl-3-nitropyridine-2,6-diamine
CID 80846872
6-N-methyl-2-N-(3-methylsulfonylpropyl)-3-nitropyridine-2,6-diamine
CID 80811993
6-methyl-5-nitro-N-(pyridin-3-ylmethyl)pyridin-2-amine
CID 80718550
6-N-methyl-2-N-(7-methyloctyl)-3-nitropyridine-2,6-diamine
CID 107818912
6-chloro-3-nitro-N-(pyridin-3-ylmethyl)pyridin-2-amine
CID 24904008

Frequently Asked Questions

What is the IUPAC name of 6-N-methyl-3-nitro-2-N-(2-pyridin-3-ylethyl)pyridine-2,6-diamine?
The IUPAC name of 6-N-methyl-3-nitro-2-N-(2-pyridin-3-ylethyl)pyridine-2,6-diamine (CID 80790541) is 6-N-methyl-3-nitro-2-N-(2-pyridin-3-ylethyl)pyridine-2,6-diamine.
What is the SMILES notation for 6-N-methyl-3-nitro-2-N-(2-pyridin-3-ylethyl)pyridine-2,6-diamine?
The canonical SMILES for 6-N-methyl-3-nitro-2-N-(2-pyridin-3-ylethyl)pyridine-2,6-diamine is CNc1ccc([N+](=O)[O-])c(NCCc2cccnc2)n1.
What is the InChIKey of 6-N-methyl-3-nitro-2-N-(2-pyridin-3-ylethyl)pyridine-2,6-diamine?
The InChIKey is NXLKCQMKXWUYON-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O2/c1-14-12-5-4-11(18(19)20)13(17-12)16-8-6-10-3-2-7-15-9-10/h2-5,7,9H,6,8H2,1H3,(H2,14,16,17).
What are the key properties of 6-N-methyl-3-nitro-2-N-(2-pyridin-3-ylethyl)pyridine-2,6-diamine?
6-N-methyl-3-nitro-2-N-(2-pyridin-3-ylethyl)pyridine-2,6-diamine has a molecular weight of 273.30 g/mol, XLogP of 2.08, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-methyl-3-nitro-2-N-(2-pyridin-3-ylethyl)pyridine-2,6-diamine is sourced from PubChem (CID 80790541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).