N,N-dimethyl-3-(4-oxo-1-pyridinyl)pent-4-enamide

C12H16N2O2 — CID 134968370

IUPACN,N-dimethyl-3-(4-oxo-1-pyridinyl)pent-4-enamide
SMILESC=CC(CC(=O)N(C)C)n1ccc(=O)cc1
InChIInChI=1S/C12H16N2O2/c1-4-10(9-12(16)13(2)3)14-7-5-11(15)6-8-14/h4-8,10H,1,9H2,2-3H3
InChIKeyXBVUYSVDHRJLNI-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.05
Rot. Bonds4

About N,N-dimethyl-3-(4-oxo-1-pyridinyl)pent-4-enamide

N,N-dimethyl-3-(4-oxo-1-pyridinyl)pent-4-enamide (PubChem CID 134968370) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is N,N-dimethyl-3-(4-oxo-1-pyridinyl)pent-4-enamide.

Molecular Properties

Compound NameN,N-dimethyl-3-(4-oxo-1-pyridinyl)pent-4-enamide
PubChem CID134968370
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC NameN,N-dimethyl-3-(4-oxo-1-pyridinyl)pent-4-enamide
SMILESC=CC(CC(=O)N(C)C)n1ccc(=O)cc1
InChIInChI=1S/C12H16N2O2/c1-4-10(9-12(16)13(2)3)14-7-5-11(15)6-8-14/h4-8,10H,1,9H2,2-3H3
InChIKeyXBVUYSVDHRJLNI-UHFFFAOYSA-N
XLogP1.05
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-(4-oxo-1-pyridinyl)pent-4-enamide?
The IUPAC name of N,N-dimethyl-3-(4-oxo-1-pyridinyl)pent-4-enamide (CID 134968370) is N,N-dimethyl-3-(4-oxo-1-pyridinyl)pent-4-enamide.
What is the SMILES notation for N,N-dimethyl-3-(4-oxo-1-pyridinyl)pent-4-enamide?
The canonical SMILES for N,N-dimethyl-3-(4-oxo-1-pyridinyl)pent-4-enamide is C=CC(CC(=O)N(C)C)n1ccc(=O)cc1.
What is the InChIKey of N,N-dimethyl-3-(4-oxo-1-pyridinyl)pent-4-enamide?
The InChIKey is XBVUYSVDHRJLNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-4-10(9-12(16)13(2)3)14-7-5-11(15)6-8-14/h4-8,10H,1,9H2,2-3H3.
What are the key properties of N,N-dimethyl-3-(4-oxo-1-pyridinyl)pent-4-enamide?
N,N-dimethyl-3-(4-oxo-1-pyridinyl)pent-4-enamide has a molecular weight of 220.27 g/mol, XLogP of 1.05, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-(4-oxo-1-pyridinyl)pent-4-enamide is sourced from PubChem (CID 134968370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).