5-(4-formylpiperidin-1-yl)pyridine-2-carboxamide

C12H15N3O2 — CID 171070571

IUPAC5-(4-formylpiperidin-1-yl)pyridine-2-carboxamide
SMILESNC(=O)c1ccc(N2CCC(C=O)CC2)cn1
InChIInChI=1S/C12H15N3O2/c13-12(17)11-2-1-10(7-14-11)15-5-3-9(8-16)4-6-15/h1-2,7-9H,3-6H2,(H2,13,17)
InChIKeyOYNLCGARXBNURX-UHFFFAOYSA-N
MW233.27 g/mol
LogP0.60
Rot. Bonds3

About 5-(4-formylpiperidin-1-yl)pyridine-2-carboxamide

5-(4-formylpiperidin-1-yl)pyridine-2-carboxamide (PubChem CID 171070571) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 5-(4-formylpiperidin-1-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(4-formylpiperidin-1-yl)pyridine-2-carboxamide
PubChem CID171070571
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name5-(4-formylpiperidin-1-yl)pyridine-2-carboxamide
SMILESNC(=O)c1ccc(N2CCC(C=O)CC2)cn1
InChIInChI=1S/C12H15N3O2/c13-12(17)11-2-1-10(7-14-11)15-5-3-9(8-16)4-6-15/h1-2,7-9H,3-6H2,(H2,13,17)
InChIKeyOYNLCGARXBNURX-UHFFFAOYSA-N
XLogP0.60
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

5-(4-aminopiperidin-1-yl)pyridine-2-carboxylic acid
CID 115760472
[1-(6-carbamoyl-3-pyridinyl)piperidin-4-yl] 4-cyclobutylpiperazine-1-carboxylate
CID 89487659
5-[3-(1-hydroxyethyl)pyrrolidin-1-yl]pyridine-2-carboxylic acid
CID 104638980
1-[5-(4-methoxypiperidin-1-yl)-2-pyridinyl]ethanone
CID 83118736
5-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)pyridine-2-carboxamide
CID 145145571
5-(azepan-1-yl)-N-cyclohexylpyridine-2-carboxamide
CID 109182978
azepan-1-yl-(5-pyrrolidin-1-yl-2-pyridinyl)methanone
CID 109182048
5-(4-ethylazepan-1-yl)pyridine-2-carboxylic acid
CID 113321639
1-[6-[(1R)-1-aminoethyl]-3-pyridinyl]piperidine-4-carboxamide
CID 83122876
[1-[3-(4-formylpiperidin-1-yl)phenyl]piperidin-4-yl] carbamate
CID 175467980
1-[5-(3-hydroxy-4-methylpiperidin-1-yl)-2-pyridinyl]ethanone
CID 102958776
(1-acetylpiperidin-4-yl)methyl 5-(4-methylpiperidin-1-yl)pyridine-2-carboxylate
CID 155266452

Frequently Asked Questions

What is the IUPAC name of 5-(4-formylpiperidin-1-yl)pyridine-2-carboxamide?
The IUPAC name of 5-(4-formylpiperidin-1-yl)pyridine-2-carboxamide (CID 171070571) is 5-(4-formylpiperidin-1-yl)pyridine-2-carboxamide.
What is the SMILES notation for 5-(4-formylpiperidin-1-yl)pyridine-2-carboxamide?
The canonical SMILES for 5-(4-formylpiperidin-1-yl)pyridine-2-carboxamide is NC(=O)c1ccc(N2CCC(C=O)CC2)cn1.
What is the InChIKey of 5-(4-formylpiperidin-1-yl)pyridine-2-carboxamide?
The InChIKey is OYNLCGARXBNURX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c13-12(17)11-2-1-10(7-14-11)15-5-3-9(8-16)4-6-15/h1-2,7-9H,3-6H2,(H2,13,17).
What are the key properties of 5-(4-formylpiperidin-1-yl)pyridine-2-carboxamide?
5-(4-formylpiperidin-1-yl)pyridine-2-carboxamide has a molecular weight of 233.27 g/mol, XLogP of 0.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-formylpiperidin-1-yl)pyridine-2-carboxamide is sourced from PubChem (CID 171070571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).