6-methoxy-N-(2-methylpiperidin-3-yl)-3-nitropyridin-2-amine

C12H18N4O3 — CID 114695495

IUPAC6-methoxy-N-(2-methylpiperidin-3-yl)-3-nitropyridin-2-amine
SMILESCOc1ccc([N+](=O)[O-])c(NC2CCCNC2C)n1
InChIInChI=1S/C12H18N4O3/c1-8-9(4-3-7-13-8)14-12-10(16(17)18)5-6-11(15-12)19-2/h5-6,8-9,13H,3-4,7H2,1-2H3,(H,14,15)
InChIKeyWSPFJKXZJBINBR-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.55
Rot. Bonds4

About 6-methoxy-N-(2-methylpiperidin-3-yl)-3-nitropyridin-2-amine

6-methoxy-N-(2-methylpiperidin-3-yl)-3-nitropyridin-2-amine (PubChem CID 114695495) has the molecular formula C12H18N4O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is 6-methoxy-N-(2-methylpiperidin-3-yl)-3-nitropyridin-2-amine.

Molecular Properties

Compound Name6-methoxy-N-(2-methylpiperidin-3-yl)-3-nitropyridin-2-amine
PubChem CID114695495
Molecular FormulaC12H18N4O3
Molecular Weight266.30 g/mol
Exact Mass266.14
IUPAC Name6-methoxy-N-(2-methylpiperidin-3-yl)-3-nitropyridin-2-amine
SMILESCOc1ccc([N+](=O)[O-])c(NC2CCCNC2C)n1
InChIInChI=1S/C12H18N4O3/c1-8-9(4-3-7-13-8)14-12-10(16(17)18)5-6-11(15-12)19-2/h5-6,8-9,13H,3-4,7H2,1-2H3,(H,14,15)
InChIKeyWSPFJKXZJBINBR-UHFFFAOYSA-N
XLogP1.55
TPSA89.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
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

N-(2-ethylcyclohexyl)-6-methoxy-3-nitropyridin-2-amine
CID 115321476
N-(2,4-dimethylcyclohexyl)-6-methoxy-3-nitropyridin-2-amine
CID 115321546
6-methoxy-3-nitro-N-(piperidin-2-ylmethyl)pyridin-2-amine
CID 115323228
N-(2-cyclopropyloxolan-3-yl)-6-methoxy-3-nitropyridin-2-amine
CID 103863968
N-(4,4-dimethylcyclohexyl)-6-methoxy-3-nitropyridin-2-amine
CID 115321551
6-methoxy-N-(3-methylsulfanylcyclohexyl)-3-nitropyridin-2-amine
CID 103739215
6-hydrazinyl-N-(2-methylcyclohexyl)-3-nitropyridin-2-amine
CID 80943738
4-[(6-methoxy-3-nitro-2-pyridinyl)amino]cyclohexane-1-carboxamide
CID 115321461
N-(2-fluoro-5-methoxy-4-nitrophenyl)-2-methylpiperidin-3-amine
CID 107260546
N-(2-methylpiperidin-3-yl)-4-nitro-1,3-benzoxazol-2-amine
CID 114695633
N-(2-methylpiperidin-3-yl)-2-nitropyridin-3-amine
CID 114695322
N-(4-fluoro-2-nitrophenyl)-2-methylpiperidin-3-amine
CID 114695569

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-(2-methylpiperidin-3-yl)-3-nitropyridin-2-amine?
The IUPAC name of 6-methoxy-N-(2-methylpiperidin-3-yl)-3-nitropyridin-2-amine (CID 114695495) is 6-methoxy-N-(2-methylpiperidin-3-yl)-3-nitropyridin-2-amine.
What is the SMILES notation for 6-methoxy-N-(2-methylpiperidin-3-yl)-3-nitropyridin-2-amine?
The canonical SMILES for 6-methoxy-N-(2-methylpiperidin-3-yl)-3-nitropyridin-2-amine is COc1ccc([N+](=O)[O-])c(NC2CCCNC2C)n1.
What is the InChIKey of 6-methoxy-N-(2-methylpiperidin-3-yl)-3-nitropyridin-2-amine?
The InChIKey is WSPFJKXZJBINBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3/c1-8-9(4-3-7-13-8)14-12-10(16(17)18)5-6-11(15-12)19-2/h5-6,8-9,13H,3-4,7H2,1-2H3,(H,14,15).
What are the key properties of 6-methoxy-N-(2-methylpiperidin-3-yl)-3-nitropyridin-2-amine?
6-methoxy-N-(2-methylpiperidin-3-yl)-3-nitropyridin-2-amine has a molecular weight of 266.30 g/mol, XLogP of 1.55, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-(2-methylpiperidin-3-yl)-3-nitropyridin-2-amine is sourced from PubChem (CID 114695495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).