1-(6-methoxy-3-nitro-2-pyridinyl)piperidine-4-carboxamide

C12H16N4O4 — CID 2826405

IUPAC1-(6-methoxy-3-nitro-2-pyridinyl)piperidine-4-carboxamide
SMILESCOc1ccc([N+](=O)[O-])c(N2CCC(C(N)=O)CC2)n1
InChIInChI=1S/C12H16N4O4/c1-20-10-3-2-9(16(18)19)12(14-10)15-6-4-8(5-7-15)11(13)17/h2-3,8H,4-7H2,1H3,(H2,13,17)
InChIKeyIXMYLJSZROHNPP-UHFFFAOYSA-N
MW280.28 g/mol
LogP0.70
Rot. Bonds4

About 1-(6-methoxy-3-nitro-2-pyridinyl)piperidine-4-carboxamide

1-(6-methoxy-3-nitro-2-pyridinyl)piperidine-4-carboxamide (PubChem CID 2826405) has the molecular formula C12H16N4O4 and a molecular weight of 280.28 g/mol. Its IUPAC name is 1-(6-methoxy-3-nitro-2-pyridinyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(6-methoxy-3-nitro-2-pyridinyl)piperidine-4-carboxamide
PubChem CID2826405
Molecular FormulaC12H16N4O4
Molecular Weight280.28 g/mol
Exact Mass280.12
IUPAC Name1-(6-methoxy-3-nitro-2-pyridinyl)piperidine-4-carboxamide
SMILESCOc1ccc([N+](=O)[O-])c(N2CCC(C(N)=O)CC2)n1
InChIInChI=1S/C12H16N4O4/c1-20-10-3-2-9(16(18)19)12(14-10)15-6-4-8(5-7-15)11(13)17/h2-3,8H,4-7H2,1H3,(H2,13,17)
InChIKeyIXMYLJSZROHNPP-UHFFFAOYSA-N
XLogP0.70
TPSA111.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 50.70
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

1-[1-(6-methoxy-3-nitro-2-pyridinyl)piperidin-4-yl]-N-methylmethanamine
CID 115323244
1-(6-methoxy-3-nitro-2-pyridinyl)-4-methylpiperidin-4-ol
CID 80703735
4-[(6-methoxy-3-nitro-2-pyridinyl)amino]cyclohexane-1-carboxamide
CID 115321461
1-(6-methoxy-3-nitropyridin-1-ium-2-yl)piperidine-4-carboxamide
CID 7219182
[1-(6-methoxy-3-nitro-2-pyridinyl)piperidin-3-yl]methanamine
CID 115323231
1-(6-methoxy-3-nitro-2-pyridinyl)-1,4-diazepane
CID 113286359
1-(6-methoxy-3-nitro-2-pyridinyl)-N,4-dimethylpiperidin-4-amine
CID 115323328
[1-(6-methoxy-3-nitro-2-pyridinyl)azepan-2-yl]methanol
CID 116636978
1-(3-chloropropyl)-4-(6-methoxy-3-nitro-2-pyridinyl)piperazine
CID 110184367
ethyl [1-[6-[4-(4-methoxyphenyl)phenoxy]-3-nitro-2-pyridinyl]piperidin-4-yl] carbonate
CID 69152966
6-[4-(4-methoxyphenyl)phenoxy]-3-nitro-2-piperidin-1-ylpyridine
CID 141094686
6-(4-carbamoylpiperidin-1-yl)-5-nitropyridine-3-carboxylic acid
CID 81441699

Frequently Asked Questions

What is the IUPAC name of 1-(6-methoxy-3-nitro-2-pyridinyl)piperidine-4-carboxamide?
The IUPAC name of 1-(6-methoxy-3-nitro-2-pyridinyl)piperidine-4-carboxamide (CID 2826405) is 1-(6-methoxy-3-nitro-2-pyridinyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(6-methoxy-3-nitro-2-pyridinyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(6-methoxy-3-nitro-2-pyridinyl)piperidine-4-carboxamide is COc1ccc([N+](=O)[O-])c(N2CCC(C(N)=O)CC2)n1.
What is the InChIKey of 1-(6-methoxy-3-nitro-2-pyridinyl)piperidine-4-carboxamide?
The InChIKey is IXMYLJSZROHNPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O4/c1-20-10-3-2-9(16(18)19)12(14-10)15-6-4-8(5-7-15)11(13)17/h2-3,8H,4-7H2,1H3,(H2,13,17).
What are the key properties of 1-(6-methoxy-3-nitro-2-pyridinyl)piperidine-4-carboxamide?
1-(6-methoxy-3-nitro-2-pyridinyl)piperidine-4-carboxamide has a molecular weight of 280.28 g/mol, XLogP of 0.70, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methoxy-3-nitro-2-pyridinyl)piperidine-4-carboxamide is sourced from PubChem (CID 2826405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).