N-methyl-1-(5-nitro-2-pyridinyl)piperidine-4-carboxamide

C12H16N4O3 — CID 24567424

IUPACN-methyl-1-(5-nitro-2-pyridinyl)piperidine-4-carboxamide
SMILESCNC(=O)C1CCN(c2ccc([N+](=O)[O-])cn2)CC1
InChIInChI=1S/C12H16N4O3/c1-13-12(17)9-4-6-15(7-5-9)11-3-2-10(8-14-11)16(18)19/h2-3,8-9H,4-7H2,1H3,(H,13,17)
InChIKeyFSJRJISHQLXHMF-UHFFFAOYSA-N
MW264.28 g/mol
LogP0.95
Rot. Bonds3

About N-methyl-1-(5-nitro-2-pyridinyl)piperidine-4-carboxamide

N-methyl-1-(5-nitro-2-pyridinyl)piperidine-4-carboxamide (PubChem CID 24567424) has the molecular formula C12H16N4O3 and a molecular weight of 264.28 g/mol. Its IUPAC name is N-methyl-1-(5-nitro-2-pyridinyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-methyl-1-(5-nitro-2-pyridinyl)piperidine-4-carboxamide
PubChem CID24567424
Molecular FormulaC12H16N4O3
Molecular Weight264.28 g/mol
Exact Mass264.12
IUPAC NameN-methyl-1-(5-nitro-2-pyridinyl)piperidine-4-carboxamide
SMILESCNC(=O)C1CCN(c2ccc([N+](=O)[O-])cn2)CC1
InChIInChI=1S/C12H16N4O3/c1-13-12(17)9-4-6-15(7-5-9)11-3-2-10(8-14-11)16(18)19/h2-3,8-9H,4-7H2,1H3,(H,13,17)
InChIKeyFSJRJISHQLXHMF-UHFFFAOYSA-N
XLogP0.95
TPSA88.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 50.95
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

N-(2-aminoethyl)-1-(5-nitro-2-pyridinyl)piperidine-4-carboxamide
CID 155385774
1-(5-nitro-2-pyridinyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 34060407
N-methyl-1-(4-nitrophenyl)piperidine-4-carboxamide
CID 47131082
1-(5-cyano-2-pyridinyl)-N-methylpiperidine-4-carboxamide
CID 47135971
1-(5-formyl-2-pyridinyl)-N-methylpiperidine-4-carboxamide
CID 80637486
N-methyl-4-[(5-nitro-2-pyridinyl)amino]cyclohexane-1-carboxamide
CID 47470181
1-(5-nitro-2-pyridinyl)piperidine-4-carbaldehyde
CID 62663272
[1-(5-nitro-2-pyridinyl)piperidin-4-yl] propanoate
CID 91212834
methyl (3R,4S)-3-methyl-1-(5-nitro-2-pyridinyl)piperidine-4-carboxylate
CID 125138651
trans-(1S,2S)-2-[4-(5-nitro-2-pyridinyl)piperazine-1-carbonyl]cyclobutane-1-carboxylic acid
CID 7189106
2-[4-(1,3-dioxol-2-yl)piperidin-1-yl]-5-nitropyridine
CID 171780126
[1-(5-nitro-2-pyridinyl)pyrrolidin-3-yl]methanol
CID 62371884

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(5-nitro-2-pyridinyl)piperidine-4-carboxamide?
The IUPAC name of N-methyl-1-(5-nitro-2-pyridinyl)piperidine-4-carboxamide (CID 24567424) is N-methyl-1-(5-nitro-2-pyridinyl)piperidine-4-carboxamide.
What is the SMILES notation for N-methyl-1-(5-nitro-2-pyridinyl)piperidine-4-carboxamide?
The canonical SMILES for N-methyl-1-(5-nitro-2-pyridinyl)piperidine-4-carboxamide is CNC(=O)C1CCN(c2ccc([N+](=O)[O-])cn2)CC1.
What is the InChIKey of N-methyl-1-(5-nitro-2-pyridinyl)piperidine-4-carboxamide?
The InChIKey is FSJRJISHQLXHMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O3/c1-13-12(17)9-4-6-15(7-5-9)11-3-2-10(8-14-11)16(18)19/h2-3,8-9H,4-7H2,1H3,(H,13,17).
What are the key properties of N-methyl-1-(5-nitro-2-pyridinyl)piperidine-4-carboxamide?
N-methyl-1-(5-nitro-2-pyridinyl)piperidine-4-carboxamide has a molecular weight of 264.28 g/mol, XLogP of 0.95, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(5-nitro-2-pyridinyl)piperidine-4-carboxamide is sourced from PubChem (CID 24567424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).