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

C13H17N3O2 — CID 80638521

IUPAC1-(5-formyl-2-pyridinyl)-N-methylpiperidine-2-carboxamide
SMILESCNC(=O)C1CCCCN1c1ccc(C=O)cn1
InChIInChI=1S/C13H17N3O2/c1-14-13(18)11-4-2-3-7-16(11)12-6-5-10(9-17)8-15-12/h5-6,8-9,11H,2-4,7H2,1H3,(H,14,18)
InChIKeyVUSVMSQYLXDNBQ-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.00
Rot. Bonds3

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

1-(5-formyl-2-pyridinyl)-N-methylpiperidine-2-carboxamide (PubChem CID 80638521) 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-2-carboxamide.

Molecular Properties

Compound Name1-(5-formyl-2-pyridinyl)-N-methylpiperidine-2-carboxamide
PubChem CID80638521
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name1-(5-formyl-2-pyridinyl)-N-methylpiperidine-2-carboxamide
SMILESCNC(=O)C1CCCCN1c1ccc(C=O)cn1
InChIInChI=1S/C13H17N3O2/c1-14-13(18)11-4-2-3-7-16(11)12-6-5-10(9-17)8-15-12/h5-6,8-9,11H,2-4,7H2,1H3,(H,14,18)
InChIKeyVUSVMSQYLXDNBQ-UHFFFAOYSA-N
XLogP1.00
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 ≤ 51.00
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

1-(5-formyl-2-pyridinyl)-N-methylpiperidine-4-carboxamide
CID 80637486
1-(5-aminopyrazin-2-yl)-N-methylpiperidine-2-carboxamide
CID 80653622
1-(6-chloro-2-pyridinyl)-N-methylpiperidine-2-carboxamide
CID 63585985
1-(5-formylfuran-2-yl)-N-methylpiperidine-2-carboxamide
CID 55039958
N-methyl-1-[6-(methylamino)pyrimidin-4-yl]piperidine-2-carboxamide
CID 80806703
1-(2,5-dichloropyrimidin-4-yl)-N-methylpiperidine-2-carboxamide
CID 79632083
1-(3-amino-4-pyridinyl)-N-methylpiperidine-2-carboxamide
CID 54985518
1-(2-hydrazinylpyrimidin-4-yl)-N-methylpyrrolidine-2-carboxamide
CID 80904751
1-(6-fluoropyrimidin-4-yl)-N-methylpyrrolidine-2-carboxamide
CID 115416730
1-(5-acetyl-2-pyridinyl)-N-cyclopropylpyrrolidine-2-carboxamide
CID 91650969
1-[4-(aminomethyl)pyridazin-3-yl]-N-methylpiperidine-2-carboxamide
CID 80509107
1-[2-ethyl-6-(ethylamino)pyrimidin-4-yl]-N-methylpiperidine-2-carboxamide
CID 80940164

Frequently Asked Questions

What is the IUPAC name of 1-(5-formyl-2-pyridinyl)-N-methylpiperidine-2-carboxamide?
The IUPAC name of 1-(5-formyl-2-pyridinyl)-N-methylpiperidine-2-carboxamide (CID 80638521) is 1-(5-formyl-2-pyridinyl)-N-methylpiperidine-2-carboxamide.
What is the SMILES notation for 1-(5-formyl-2-pyridinyl)-N-methylpiperidine-2-carboxamide?
The canonical SMILES for 1-(5-formyl-2-pyridinyl)-N-methylpiperidine-2-carboxamide is CNC(=O)C1CCCCN1c1ccc(C=O)cn1.
What is the InChIKey of 1-(5-formyl-2-pyridinyl)-N-methylpiperidine-2-carboxamide?
The InChIKey is VUSVMSQYLXDNBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-14-13(18)11-4-2-3-7-16(11)12-6-5-10(9-17)8-15-12/h5-6,8-9,11H,2-4,7H2,1H3,(H,14,18).
What are the key properties of 1-(5-formyl-2-pyridinyl)-N-methylpiperidine-2-carboxamide?
1-(5-formyl-2-pyridinyl)-N-methylpiperidine-2-carboxamide has a molecular weight of 247.30 g/mol, XLogP of 1.00, 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-2-carboxamide is sourced from PubChem (CID 80638521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).