6-methoxy-3-nitro-N-(piperidin-2-ylmethyl)pyridin-2-amine

C12H18N4O3 — CID 115323228

IUPAC6-methoxy-3-nitro-N-(piperidin-2-ylmethyl)pyridin-2-amine
SMILESCOc1ccc([N+](=O)[O-])c(NCC2CCCCN2)n1
InChIInChI=1S/C12H18N4O3/c1-19-11-6-5-10(16(17)18)12(15-11)14-8-9-4-2-3-7-13-9/h5-6,9,13H,2-4,7-8H2,1H3,(H,14,15)
InChIKeyBGCAHJOCWHYZKU-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.55
Rot. Bonds5

About 6-methoxy-3-nitro-N-(piperidin-2-ylmethyl)pyridin-2-amine

6-methoxy-3-nitro-N-(piperidin-2-ylmethyl)pyridin-2-amine (PubChem CID 115323228) has the molecular formula C12H18N4O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is 6-methoxy-3-nitro-N-(piperidin-2-ylmethyl)pyridin-2-amine.

Molecular Properties

Compound Name6-methoxy-3-nitro-N-(piperidin-2-ylmethyl)pyridin-2-amine
PubChem CID115323228
Molecular FormulaC12H18N4O3
Molecular Weight266.30 g/mol
Exact Mass266.14
IUPAC Name6-methoxy-3-nitro-N-(piperidin-2-ylmethyl)pyridin-2-amine
SMILESCOc1ccc([N+](=O)[O-])c(NCC2CCCCN2)n1
InChIInChI=1S/C12H18N4O3/c1-19-11-6-5-10(16(17)18)12(15-11)14-8-9-4-2-3-7-13-9/h5-6,9,13H,2-4,7-8H2,1H3,(H,14,15)
InChIKeyBGCAHJOCWHYZKU-UHFFFAOYSA-N
XLogP1.55
TPSA89.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.55
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-methoxy-3-nitro-2-(piperidin-2-ylmethoxy)pyridine
CID 115323416
6-methoxy-3-nitro-N-(oxolan-2-ylmethyl)pyridin-2-amine
CID 79882191
6-methoxy-N-(2-methylpiperidin-3-yl)-3-nitropyridin-2-amine
CID 114695495
N,N'-bis(6-methoxy-3-nitro-2-pyridinyl)heptane-1,7-diamine
CID 110172492
N-(2-ethylcyclohexyl)-6-methoxy-3-nitropyridin-2-amine
CID 115321476
N'-cyclopropyl-N'-ethyl-N-(6-methoxy-3-nitro-2-pyridinyl)ethane-1,2-diamine
CID 103739551
N-cyclopropyl-3-[(6-methoxy-3-nitro-2-pyridinyl)amino]propanamide
CID 115321580
5-fluoro-2-nitro-N-(piperidin-2-ylmethyl)aniline
CID 62378347
6-methoxy-N-[(2-methoxyphenyl)methyl]-3-nitropyridin-2-amine
CID 79881497
6-methoxy-3-nitro-N-(2-pyrrolidin-1-ylpropyl)pyridin-2-amine
CID 115321590
6-methoxy-3-nitro-N-(pyridin-4-ylmethyl)pyridin-2-amine
CID 115321427
N-[(4-ethylphenyl)methyl]-6-methoxy-3-nitropyridin-2-amine
CID 106900082

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-3-nitro-N-(piperidin-2-ylmethyl)pyridin-2-amine?
The IUPAC name of 6-methoxy-3-nitro-N-(piperidin-2-ylmethyl)pyridin-2-amine (CID 115323228) is 6-methoxy-3-nitro-N-(piperidin-2-ylmethyl)pyridin-2-amine.
What is the SMILES notation for 6-methoxy-3-nitro-N-(piperidin-2-ylmethyl)pyridin-2-amine?
The canonical SMILES for 6-methoxy-3-nitro-N-(piperidin-2-ylmethyl)pyridin-2-amine is COc1ccc([N+](=O)[O-])c(NCC2CCCCN2)n1.
What is the InChIKey of 6-methoxy-3-nitro-N-(piperidin-2-ylmethyl)pyridin-2-amine?
The InChIKey is BGCAHJOCWHYZKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3/c1-19-11-6-5-10(16(17)18)12(15-11)14-8-9-4-2-3-7-13-9/h5-6,9,13H,2-4,7-8H2,1H3,(H,14,15).
What are the key properties of 6-methoxy-3-nitro-N-(piperidin-2-ylmethyl)pyridin-2-amine?
6-methoxy-3-nitro-N-(piperidin-2-ylmethyl)pyridin-2-amine has a molecular weight of 266.30 g/mol, XLogP of 1.55, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-3-nitro-N-(piperidin-2-ylmethyl)pyridin-2-amine is sourced from PubChem (CID 115323228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).