(3R)-1-(5-nitro-2-pyridinyl)-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide

C17H19N5O3 — CID 29105207

IUPAC(3R)-1-(5-nitro-2-pyridinyl)-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide
SMILESO=C(NCc1ccncc1)[C@@H]1CCCN(c2ccc([N+](=O)[O-])cn2)C1
InChIInChI=1S/C17H19N5O3/c23-17(20-10-13-5-7-18-8-6-13)14-2-1-9-21(12-14)16-4-3-15(11-19-16)22(24)25/h3-8,11,14H,1-2,9-10,12H2,(H,20,23)/t14-/m1/s1
InChIKeyMBERWLYLQUMLNH-CQSZACIVSA-N
MW341.37 g/mol
LogP1.92
Rot. Bonds5

About (3R)-1-(5-nitro-2-pyridinyl)-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide

(3R)-1-(5-nitro-2-pyridinyl)-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide (PubChem CID 29105207) has the molecular formula C17H19N5O3 and a molecular weight of 341.37 g/mol. Its IUPAC name is (3R)-1-(5-nitro-2-pyridinyl)-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(5-nitro-2-pyridinyl)-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide
PubChem CID29105207
Molecular FormulaC17H19N5O3
Molecular Weight341.37 g/mol
Exact Mass341.15
IUPAC Name(3R)-1-(5-nitro-2-pyridinyl)-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide
SMILESO=C(NCc1ccncc1)[C@@H]1CCCN(c2ccc([N+](=O)[O-])cn2)C1
InChIInChI=1S/C17H19N5O3/c23-17(20-10-13-5-7-18-8-6-13)14-2-1-9-21(12-14)16-4-3-15(11-19-16)22(24)25/h3-8,11,14H,1-2,9-10,12H2,(H,20,23)/t14-/m1/s1
InChIKeyMBERWLYLQUMLNH-CQSZACIVSA-N
XLogP1.92
TPSA101.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 51.92
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

(3R)-1-(5-nitro-2-pyridinyl)piperidine-3-carboxamide
CID 30994170
(3S)-N-(4-bromophenyl)-1-(5-nitro-2-pyridinyl)piperidine-3-carboxamide
CID 29105857
3-[methyl-[1-(5-nitro-2-pyridinyl)piperidine-3-carbonyl]amino]propanoic acid
CID 82033164
[1-(5-nitro-2-pyridinyl)piperidin-3-yl]methanol
CID 2859766
1-(6-pyrazol-1-ylpyrimidin-4-yl)-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide
CID 90520568
(3R)-N-[(4-chlorophenyl)methyl]-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 40639434
(3S)-1-methyl-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide
CID 96568235
(3S)-1-(4,6-dimethylpyrimidin-2-yl)-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide
CID 96558140
(3R)-N-[(4-chlorophenyl)methyl]-1-pyridin-4-ylpiperidine-3-carboxamide
CID 92882098
1-[6-(3,4-dimethylphenyl)pyridazin-3-yl]-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide
CID 53056954
1-(5-nitro-2-pyridinyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 34060407
N-(2-aminoethyl)-1-(5-nitro-2-pyridinyl)piperidine-4-carboxamide
CID 155385774

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(5-nitro-2-pyridinyl)-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide?
The IUPAC name of (3R)-1-(5-nitro-2-pyridinyl)-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide (CID 29105207) is (3R)-1-(5-nitro-2-pyridinyl)-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(5-nitro-2-pyridinyl)-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-(5-nitro-2-pyridinyl)-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide is O=C(NCc1ccncc1)[C@@H]1CCCN(c2ccc([N+](=O)[O-])cn2)C1.
What is the InChIKey of (3R)-1-(5-nitro-2-pyridinyl)-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide?
The InChIKey is MBERWLYLQUMLNH-CQSZACIVSA-N. The full InChI is InChI=1S/C17H19N5O3/c23-17(20-10-13-5-7-18-8-6-13)14-2-1-9-21(12-14)16-4-3-15(11-19-16)22(24)25/h3-8,11,14H,1-2,9-10,12H2,(H,20,23)/t14-/m1/s1.
What are the key properties of (3R)-1-(5-nitro-2-pyridinyl)-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide?
(3R)-1-(5-nitro-2-pyridinyl)-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide has a molecular weight of 341.37 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(5-nitro-2-pyridinyl)-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide is sourced from PubChem (CID 29105207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).