6-methyl-5-nitro-N-(2-pyridin-3-ylethyl)pyridin-2-amine

C13H14N4O2 — CID 80718289

IUPAC6-methyl-5-nitro-N-(2-pyridin-3-ylethyl)pyridin-2-amine
SMILESCc1nc(NCCc2cccnc2)ccc1[N+](=O)[O-]
InChIInChI=1S/C13H14N4O2/c1-10-12(17(18)19)4-5-13(16-10)15-8-6-11-3-2-7-14-9-11/h2-5,7,9H,6,8H2,1H3,(H,15,16)
InChIKeyYDBYUFPTNDBGCW-UHFFFAOYSA-N
MW258.28 g/mol
LogP2.35
Rot. Bonds5

About 6-methyl-5-nitro-N-(2-pyridin-3-ylethyl)pyridin-2-amine

6-methyl-5-nitro-N-(2-pyridin-3-ylethyl)pyridin-2-amine (PubChem CID 80718289) has the molecular formula C13H14N4O2 and a molecular weight of 258.28 g/mol. Its IUPAC name is 6-methyl-5-nitro-N-(2-pyridin-3-ylethyl)pyridin-2-amine.

Molecular Properties

Compound Name6-methyl-5-nitro-N-(2-pyridin-3-ylethyl)pyridin-2-amine
PubChem CID80718289
Molecular FormulaC13H14N4O2
Molecular Weight258.28 g/mol
Exact Mass258.11
IUPAC Name6-methyl-5-nitro-N-(2-pyridin-3-ylethyl)pyridin-2-amine
SMILESCc1nc(NCCc2cccnc2)ccc1[N+](=O)[O-]
InChIInChI=1S/C13H14N4O2/c1-10-12(17(18)19)4-5-13(16-10)15-8-6-11-3-2-7-14-9-11/h2-5,7,9H,6,8H2,1H3,(H,15,16)
InChIKeyYDBYUFPTNDBGCW-UHFFFAOYSA-N
XLogP2.35
TPSA80.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-(pyridin-3-ylmethyl)pyridin-2-amine
CID 80718550
3-nitro-6-(2-pyridin-3-ylethylamino)pyridine-2-carbonitrile
CID 103471291
6-N-methyl-3-nitro-2-N-(2-pyridin-3-ylethyl)pyridine-2,6-diamine
CID 80790541
N-[2-(2-methoxy-4-pyridinyl)ethyl]-6-methyl-5-nitropyridin-2-amine
CID 122154444
3-nitro-2-N-(2-pyridin-3-ylethyl)pyridine-2,6-diamine
CID 80790211
2,3-difluoro-6-nitro-N-(2-pyridin-3-ylethyl)aniline
CID 62533658
6-methyl-5-nitro-N-[2-(1,3-thiazol-4-yl)ethyl]pyridin-2-amine
CID 80711079
6-methyl-2-(3-nitrophenyl)-N-(2-pyridin-3-ylethyl)pyrimidin-4-amine
CID 47053519
6-N-[(2,4-dimethoxyphenyl)methyl]-3-nitro-2-N-(2-pyridin-3-ylethyl)pyridine-2,6-diamine
CID 68806763
2-methyl-4-(2-pyridin-3-ylethylamino)-1H-pyrimidin-6-one
CID 137015427
6-methyl-N-(3-methylsulfinylpropyl)-5-nitropyridin-2-amine
CID 75426721
N-(3-ethoxypropyl)-6-methyl-5-nitropyridin-2-amine
CID 80719198

Frequently Asked Questions

What is the IUPAC name of 6-methyl-5-nitro-N-(2-pyridin-3-ylethyl)pyridin-2-amine?
The IUPAC name of 6-methyl-5-nitro-N-(2-pyridin-3-ylethyl)pyridin-2-amine (CID 80718289) is 6-methyl-5-nitro-N-(2-pyridin-3-ylethyl)pyridin-2-amine.
What is the SMILES notation for 6-methyl-5-nitro-N-(2-pyridin-3-ylethyl)pyridin-2-amine?
The canonical SMILES for 6-methyl-5-nitro-N-(2-pyridin-3-ylethyl)pyridin-2-amine is Cc1nc(NCCc2cccnc2)ccc1[N+](=O)[O-].
What is the InChIKey of 6-methyl-5-nitro-N-(2-pyridin-3-ylethyl)pyridin-2-amine?
The InChIKey is YDBYUFPTNDBGCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2/c1-10-12(17(18)19)4-5-13(16-10)15-8-6-11-3-2-7-14-9-11/h2-5,7,9H,6,8H2,1H3,(H,15,16).
What are the key properties of 6-methyl-5-nitro-N-(2-pyridin-3-ylethyl)pyridin-2-amine?
6-methyl-5-nitro-N-(2-pyridin-3-ylethyl)pyridin-2-amine has a molecular weight of 258.28 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-5-nitro-N-(2-pyridin-3-ylethyl)pyridin-2-amine is sourced from PubChem (CID 80718289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).