6-methoxy-3-nitro-N-(1-pyridin-4-ylethyl)pyridin-2-amine

C13H14N4O3 — CID 115321436

IUPAC6-methoxy-3-nitro-N-(1-pyridin-4-ylethyl)pyridin-2-amine
SMILESCOc1ccc([N+](=O)[O-])c(NC(C)c2ccncc2)n1
InChIInChI=1S/C13H14N4O3/c1-9(10-5-7-14-8-6-10)15-13-11(17(18)19)3-4-12(16-13)20-2/h3-9H,1-2H3,(H,15,16)
InChIKeyPRDICTZDQKRCLF-UHFFFAOYSA-N
MW274.28 g/mol
LogP2.57
Rot. Bonds5

About 6-methoxy-3-nitro-N-(1-pyridin-4-ylethyl)pyridin-2-amine

6-methoxy-3-nitro-N-(1-pyridin-4-ylethyl)pyridin-2-amine (PubChem CID 115321436) has the molecular formula C13H14N4O3 and a molecular weight of 274.28 g/mol. Its IUPAC name is 6-methoxy-3-nitro-N-(1-pyridin-4-ylethyl)pyridin-2-amine.

Molecular Properties

Compound Name6-methoxy-3-nitro-N-(1-pyridin-4-ylethyl)pyridin-2-amine
PubChem CID115321436
Molecular FormulaC13H14N4O3
Molecular Weight274.28 g/mol
Exact Mass274.11
IUPAC Name6-methoxy-3-nitro-N-(1-pyridin-4-ylethyl)pyridin-2-amine
SMILESCOc1ccc([N+](=O)[O-])c(NC(C)c2ccncc2)n1
InChIInChI=1S/C13H14N4O3/c1-9(10-5-7-14-8-6-10)15-13-11(17(18)19)3-4-12(16-13)20-2/h3-9H,1-2H3,(H,15,16)
InChIKeyPRDICTZDQKRCLF-UHFFFAOYSA-N
XLogP2.57
TPSA90.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 52.57
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

5-nitro-6-(1-pyridin-4-ylethylamino)pyridine-2-carboxylic acid
CID 114403632
N-but-3-yn-2-yl-6-methoxy-3-nitropyridin-2-amine
CID 114418080
2-[(6-methoxy-3-nitro-2-pyridinyl)amino]propanamide
CID 115321439
6-methoxy-3-nitro-N-(pyridin-4-ylmethyl)pyridin-2-amine
CID 115321427
6-methoxy-N-(2-methylpentan-3-yl)-3-nitropyridin-2-amine
CID 79883263
3-[(6-methoxy-3-nitro-2-pyridinyl)amino]-2-methylbutanoic acid
CID 70978458
2-[(6-methoxy-3-nitro-2-pyridinyl)amino]-3-methylbutan-1-ol
CID 112703231
2-N-[1-(4-methoxyphenyl)ethyl]-3-nitropyridine-2,6-diamine
CID 80832173
6-methoxy-N-(1-methylsulfinylpropan-2-yl)-3-nitropyridin-2-amine
CID 113413444
N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-6-methoxy-3-nitropyridin-2-amine
CID 115682000
2-[(6-methoxy-3-nitro-2-pyridinyl)amino]butanoic acid
CID 113286704
6-methoxy-N-(4-methylpentyl)-3-nitropyridin-2-amine
CID 113286768

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-3-nitro-N-(1-pyridin-4-ylethyl)pyridin-2-amine?
The IUPAC name of 6-methoxy-3-nitro-N-(1-pyridin-4-ylethyl)pyridin-2-amine (CID 115321436) is 6-methoxy-3-nitro-N-(1-pyridin-4-ylethyl)pyridin-2-amine.
What is the SMILES notation for 6-methoxy-3-nitro-N-(1-pyridin-4-ylethyl)pyridin-2-amine?
The canonical SMILES for 6-methoxy-3-nitro-N-(1-pyridin-4-ylethyl)pyridin-2-amine is COc1ccc([N+](=O)[O-])c(NC(C)c2ccncc2)n1.
What is the InChIKey of 6-methoxy-3-nitro-N-(1-pyridin-4-ylethyl)pyridin-2-amine?
The InChIKey is PRDICTZDQKRCLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O3/c1-9(10-5-7-14-8-6-10)15-13-11(17(18)19)3-4-12(16-13)20-2/h3-9H,1-2H3,(H,15,16).
What are the key properties of 6-methoxy-3-nitro-N-(1-pyridin-4-ylethyl)pyridin-2-amine?
6-methoxy-3-nitro-N-(1-pyridin-4-ylethyl)pyridin-2-amine has a molecular weight of 274.28 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-3-nitro-N-(1-pyridin-4-ylethyl)pyridin-2-amine is sourced from PubChem (CID 115321436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).