(3R)-1-(5-nitro-2-pyridinyl)piperidine-3-carboxamide

C11H14N4O3 — CID 30994170

IUPAC(3R)-1-(5-nitro-2-pyridinyl)piperidine-3-carboxamide
SMILESNC(=O)[C@@H]1CCCN(c2ccc([N+](=O)[O-])cn2)C1
InChIInChI=1S/C11H14N4O3/c12-11(16)8-2-1-5-14(7-8)10-4-3-9(6-13-10)15(17)18/h3-4,6,8H,1-2,5,7H2,(H2,12,16)/t8-/m1/s1
InChIKeyVNNPMRKDUCTHGC-MRVPVSSYSA-N
MW250.26 g/mol
LogP0.69
Rot. Bonds3

About (3R)-1-(5-nitro-2-pyridinyl)piperidine-3-carboxamide

(3R)-1-(5-nitro-2-pyridinyl)piperidine-3-carboxamide (PubChem CID 30994170) has the molecular formula C11H14N4O3 and a molecular weight of 250.26 g/mol. Its IUPAC name is (3R)-1-(5-nitro-2-pyridinyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(5-nitro-2-pyridinyl)piperidine-3-carboxamide
PubChem CID30994170
Molecular FormulaC11H14N4O3
Molecular Weight250.26 g/mol
Exact Mass250.11
IUPAC Name(3R)-1-(5-nitro-2-pyridinyl)piperidine-3-carboxamide
SMILESNC(=O)[C@@H]1CCCN(c2ccc([N+](=O)[O-])cn2)C1
InChIInChI=1S/C11H14N4O3/c12-11(16)8-2-1-5-14(7-8)10-4-3-9(6-13-10)15(17)18/h3-4,6,8H,1-2,5,7H2,(H2,12,16)/t8-/m1/s1
InChIKeyVNNPMRKDUCTHGC-MRVPVSSYSA-N
XLogP0.69
TPSA102.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 50.69
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

(3R)-1-(4-nitrophenyl)piperidine-3-carboxamide
CID 33114657
(3S)-1-(5-amino-2-pyridinyl)piperidine-3-carboxamide
CID 30115330
(3S)-N-(4-bromophenyl)-1-(5-nitro-2-pyridinyl)piperidine-3-carboxamide
CID 29105857
1-(5-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 90309940
[1-(5-nitro-2-pyridinyl)piperidin-3-yl]methanol
CID 2859766
3-[methyl-[1-(5-nitro-2-pyridinyl)piperidine-3-carbonyl]amino]propanoic acid
CID 82033164
(3R)-1-(5-nitro-2-pyridinyl)-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide
CID 29105207
1-(2-formyl-4-nitrophenyl)piperidine-3-carboxamide
CID 43083193
[4-(4-methoxyphenyl)piperazin-1-yl]-[(3S)-1-(5-nitro-2-pyridinyl)piperidin-3-yl]methanone
CID 29105052
1-(5-nitro-2-pyridinyl)-4-piperidin-1-ylpiperidine-4-carboxamide
CID 3165093
(3R)-1-[5-[di(propan-2-yl)sulfamoyl]-2-pyridinyl]piperidine-3-carboxamide
CID 51969113
tert-butyl N-[(3R)-1-(5-nitro-2-pyridinyl)piperidin-3-yl]carbamate
CID 97174007

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(5-nitro-2-pyridinyl)piperidine-3-carboxamide?
The IUPAC name of (3R)-1-(5-nitro-2-pyridinyl)piperidine-3-carboxamide (CID 30994170) is (3R)-1-(5-nitro-2-pyridinyl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(5-nitro-2-pyridinyl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-(5-nitro-2-pyridinyl)piperidine-3-carboxamide is NC(=O)[C@@H]1CCCN(c2ccc([N+](=O)[O-])cn2)C1.
What is the InChIKey of (3R)-1-(5-nitro-2-pyridinyl)piperidine-3-carboxamide?
The InChIKey is VNNPMRKDUCTHGC-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H14N4O3/c12-11(16)8-2-1-5-14(7-8)10-4-3-9(6-13-10)15(17)18/h3-4,6,8H,1-2,5,7H2,(H2,12,16)/t8-/m1/s1.
What are the key properties of (3R)-1-(5-nitro-2-pyridinyl)piperidine-3-carboxamide?
(3R)-1-(5-nitro-2-pyridinyl)piperidine-3-carboxamide has a molecular weight of 250.26 g/mol, XLogP of 0.69, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(5-nitro-2-pyridinyl)piperidine-3-carboxamide is sourced from PubChem (CID 30994170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).