N-methyl-1-(3-methyl-5-nitro-2-pyridinyl)piperidin-3-amine

C12H18N4O2 — CID 62545492

IUPACN-methyl-1-(3-methyl-5-nitro-2-pyridinyl)piperidin-3-amine
SMILESCNC1CCCN(c2ncc([N+](=O)[O-])cc2C)C1
InChIInChI=1S/C12H18N4O2/c1-9-6-11(16(17)18)7-14-12(9)15-5-3-4-10(8-15)13-2/h6-7,10,13H,3-5,8H2,1-2H3
InChIKeyWKHXTLPMVSKFIZ-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.49
Rot. Bonds3

About N-methyl-1-(3-methyl-5-nitro-2-pyridinyl)piperidin-3-amine

N-methyl-1-(3-methyl-5-nitro-2-pyridinyl)piperidin-3-amine (PubChem CID 62545492) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is N-methyl-1-(3-methyl-5-nitro-2-pyridinyl)piperidin-3-amine.

Molecular Properties

Compound NameN-methyl-1-(3-methyl-5-nitro-2-pyridinyl)piperidin-3-amine
PubChem CID62545492
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC NameN-methyl-1-(3-methyl-5-nitro-2-pyridinyl)piperidin-3-amine
SMILESCNC1CCCN(c2ncc([N+](=O)[O-])cc2C)C1
InChIInChI=1S/C12H18N4O2/c1-9-6-11(16(17)18)7-14-12(9)15-5-3-4-10(8-15)13-2/h6-7,10,13H,3-5,8H2,1-2H3
InChIKeyWKHXTLPMVSKFIZ-UHFFFAOYSA-N
XLogP1.49
TPSA71.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.49
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

2-methyl-N-[1-(3-methyl-5-nitro-2-pyridinyl)piperidin-3-yl]propanamide
CID 133354655
1-(3-methyl-5-nitro-2-pyridinyl)piperidine-3-carbaldehyde
CID 62663995
N-methyl-1-(5-nitropyrimidin-2-yl)piperidin-3-amine
CID 62546025
1-(5-bromo-3-nitro-2-pyridinyl)-N-methylpiperidin-3-amine
CID 62545848
3-[1-(3-methyl-5-nitro-2-pyridinyl)piperidin-3-yl]propanoic acid
CID 62476675
1-(3-methyl-5-nitro-2-pyridinyl)pyrrolidine-3,4-diol
CID 106673378
1-(3-methyl-5-nitro-2-pyridinyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 133326898
1-(3-methyl-5-nitro-2-pyridinyl)piperidin-4-ol
CID 62477755
1-(3-bromo-5-nitro-2-pyridinyl)-N-phenylpiperidin-3-amine
CID 133363138
1-(5-bromo-3-nitro-2-pyridinyl)-N-methylpyrrolidin-3-amine
CID 113282049
1-(3-methyl-5-nitro-2-pyridinyl)piperidine-2-carboxylic acid
CID 62477365
1-(3-methyl-5-nitro-2-pyridinyl)-4-propyl-1,4-diazepane
CID 133322502

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(3-methyl-5-nitro-2-pyridinyl)piperidin-3-amine?
The IUPAC name of N-methyl-1-(3-methyl-5-nitro-2-pyridinyl)piperidin-3-amine (CID 62545492) is N-methyl-1-(3-methyl-5-nitro-2-pyridinyl)piperidin-3-amine.
What is the SMILES notation for N-methyl-1-(3-methyl-5-nitro-2-pyridinyl)piperidin-3-amine?
The canonical SMILES for N-methyl-1-(3-methyl-5-nitro-2-pyridinyl)piperidin-3-amine is CNC1CCCN(c2ncc([N+](=O)[O-])cc2C)C1.
What is the InChIKey of N-methyl-1-(3-methyl-5-nitro-2-pyridinyl)piperidin-3-amine?
The InChIKey is WKHXTLPMVSKFIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-9-6-11(16(17)18)7-14-12(9)15-5-3-4-10(8-15)13-2/h6-7,10,13H,3-5,8H2,1-2H3.
What are the key properties of N-methyl-1-(3-methyl-5-nitro-2-pyridinyl)piperidin-3-amine?
N-methyl-1-(3-methyl-5-nitro-2-pyridinyl)piperidin-3-amine has a molecular weight of 250.30 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(3-methyl-5-nitro-2-pyridinyl)piperidin-3-amine is sourced from PubChem (CID 62545492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).