1-(5-formyl-2-pyridinyl)-N-methylpiperidine-4-carboxamide

C13H17N3O2 — CID 80637486

IUPAC1-(5-formyl-2-pyridinyl)-N-methylpiperidine-4-carboxamide
SMILESCNC(=O)C1CCN(c2ccc(C=O)cn2)CC1
InChIInChI=1S/C13H17N3O2/c1-14-13(18)11-4-6-16(7-5-11)12-3-2-10(9-17)8-15-12/h2-3,8-9,11H,4-7H2,1H3,(H,14,18)
InChIKeyIWIYMAHUXJCWCM-UHFFFAOYSA-N
MW247.30 g/mol
LogP0.86
Rot. Bonds3

About 1-(5-formyl-2-pyridinyl)-N-methylpiperidine-4-carboxamide

1-(5-formyl-2-pyridinyl)-N-methylpiperidine-4-carboxamide (PubChem CID 80637486) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 1-(5-formyl-2-pyridinyl)-N-methylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(5-formyl-2-pyridinyl)-N-methylpiperidine-4-carboxamide
PubChem CID80637486
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name1-(5-formyl-2-pyridinyl)-N-methylpiperidine-4-carboxamide
SMILESCNC(=O)C1CCN(c2ccc(C=O)cn2)CC1
InChIInChI=1S/C13H17N3O2/c1-14-13(18)11-4-6-16(7-5-11)12-3-2-10(9-17)8-15-12/h2-3,8-9,11H,4-7H2,1H3,(H,14,18)
InChIKeyIWIYMAHUXJCWCM-UHFFFAOYSA-N
XLogP0.86
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(5-formyl-2-pyridinyl)-N-methylpiperidine-4-carboxamide?
The IUPAC name of 1-(5-formyl-2-pyridinyl)-N-methylpiperidine-4-carboxamide (CID 80637486) is 1-(5-formyl-2-pyridinyl)-N-methylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(5-formyl-2-pyridinyl)-N-methylpiperidine-4-carboxamide?
The canonical SMILES for 1-(5-formyl-2-pyridinyl)-N-methylpiperidine-4-carboxamide is CNC(=O)C1CCN(c2ccc(C=O)cn2)CC1.
What is the InChIKey of 1-(5-formyl-2-pyridinyl)-N-methylpiperidine-4-carboxamide?
The InChIKey is IWIYMAHUXJCWCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-14-13(18)11-4-6-16(7-5-11)12-3-2-10(9-17)8-15-12/h2-3,8-9,11H,4-7H2,1H3,(H,14,18).
What are the key properties of 1-(5-formyl-2-pyridinyl)-N-methylpiperidine-4-carboxamide?
1-(5-formyl-2-pyridinyl)-N-methylpiperidine-4-carboxamide has a molecular weight of 247.30 g/mol, XLogP of 0.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-formyl-2-pyridinyl)-N-methylpiperidine-4-carboxamide is sourced from PubChem (CID 80637486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).