N-(6-oxopiperidin-3-yl)-3-pyridin-3-ylprop-2-enamide

C13H15N3O2 — CID 76976653

IUPACN-(6-oxopiperidin-3-yl)-3-pyridin-3-ylprop-2-enamide
SMILESO=C(C=Cc1cccnc1)NC1CCC(=O)NC1
InChIInChI=1S/C13H15N3O2/c17-12-6-4-11(9-15-12)16-13(18)5-3-10-2-1-7-14-8-10/h1-3,5,7-8,11H,4,6,9H2,(H,15,17)(H,16,18)
InChIKeyLYOMZDKIDGYYQD-UHFFFAOYSA-N
MW245.28 g/mol
LogP0.49
Rot. Bonds3

About N-(6-oxopiperidin-3-yl)-3-pyridin-3-ylprop-2-enamide

N-(6-oxopiperidin-3-yl)-3-pyridin-3-ylprop-2-enamide (PubChem CID 76976653) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is N-(6-oxopiperidin-3-yl)-3-pyridin-3-ylprop-2-enamide.

Molecular Properties

Compound NameN-(6-oxopiperidin-3-yl)-3-pyridin-3-ylprop-2-enamide
PubChem CID76976653
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC NameN-(6-oxopiperidin-3-yl)-3-pyridin-3-ylprop-2-enamide
SMILESO=C(C=Cc1cccnc1)NC1CCC(=O)NC1
InChIInChI=1S/C13H15N3O2/c17-12-6-4-11(9-15-12)16-13(18)5-3-10-2-1-7-14-8-10/h1-3,5,7-8,11H,4,6,9H2,(H,15,17)(H,16,18)
InChIKeyLYOMZDKIDGYYQD-UHFFFAOYSA-N
XLogP0.49
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-cyclohexyl-3-pyridin-3-ylprop-2-enamide
CID 71899115
3-(3,5-dichlorophenyl)-N-(6-oxopiperidin-3-yl)prop-2-enamide
CID 76976955
N-(6-oxopiperidin-3-yl)-2-pyridin-3-ylacetamide
CID 63661195
3-(3-chloro-4-methylphenyl)-N-(6-oxopiperidin-3-yl)prop-2-enamide
CID 76976919
3-(2-nitrophenyl)-N-(6-oxopiperidin-3-yl)prop-2-enamide
CID 76944811
3-(5-bromothiophen-2-yl)-N-(6-oxopiperidin-3-yl)prop-2-enamide
CID 76944857
3-(2-bromo-4-methylphenyl)-N-(6-oxopiperidin-3-yl)prop-2-enamide
CID 76976877
(E)-N-[2-(hydroxymethyl)cyclohexyl]-3-pyridin-3-ylprop-2-enamide
CID 103798326
N-(3-ethylsulfanylcyclohexyl)-3-pyridin-3-ylprop-2-enamide
CID 71979347
N-methyl-3-pyridin-3-ylprop-2-enamide
CID 73116356
4-[(E)-2-pyridin-3-ylethenyl]pyrrolidin-2-one
CID 131238216
(E)-1-cyclopropyl-3-pyridin-3-ylprop-2-en-1-one
CID 19558824

Frequently Asked Questions

What is the IUPAC name of N-(6-oxopiperidin-3-yl)-3-pyridin-3-ylprop-2-enamide?
The IUPAC name of N-(6-oxopiperidin-3-yl)-3-pyridin-3-ylprop-2-enamide (CID 76976653) is N-(6-oxopiperidin-3-yl)-3-pyridin-3-ylprop-2-enamide.
What is the SMILES notation for N-(6-oxopiperidin-3-yl)-3-pyridin-3-ylprop-2-enamide?
The canonical SMILES for N-(6-oxopiperidin-3-yl)-3-pyridin-3-ylprop-2-enamide is O=C(C=Cc1cccnc1)NC1CCC(=O)NC1.
What is the InChIKey of N-(6-oxopiperidin-3-yl)-3-pyridin-3-ylprop-2-enamide?
The InChIKey is LYOMZDKIDGYYQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c17-12-6-4-11(9-15-12)16-13(18)5-3-10-2-1-7-14-8-10/h1-3,5,7-8,11H,4,6,9H2,(H,15,17)(H,16,18).
What are the key properties of N-(6-oxopiperidin-3-yl)-3-pyridin-3-ylprop-2-enamide?
N-(6-oxopiperidin-3-yl)-3-pyridin-3-ylprop-2-enamide has a molecular weight of 245.28 g/mol, XLogP of 0.49, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-oxopiperidin-3-yl)-3-pyridin-3-ylprop-2-enamide is sourced from PubChem (CID 76976653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).