N-(1-butyl-5,6-dimethyl-2-oxo-3-pyridinyl)prop-2-enamide

C14H20N2O2 — CID 66633193

IUPACN-(1-butyl-5,6-dimethyl-2-oxo-3-pyridinyl)prop-2-enamide
SMILESC=CC(=O)Nc1cc(C)c(C)n(CCCC)c1=O
InChIInChI=1S/C14H20N2O2/c1-5-7-8-16-11(4)10(3)9-12(14(16)18)15-13(17)6-2/h6,9H,2,5,7-8H2,1,3-4H3,(H,15,17)
InChIKeyOTJDOFWFTPRVEF-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.39
Rot. Bonds5

About N-(1-butyl-5,6-dimethyl-2-oxo-3-pyridinyl)prop-2-enamide

N-(1-butyl-5,6-dimethyl-2-oxo-3-pyridinyl)prop-2-enamide (PubChem CID 66633193) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is N-(1-butyl-5,6-dimethyl-2-oxo-3-pyridinyl)prop-2-enamide.

Molecular Properties

Compound NameN-(1-butyl-5,6-dimethyl-2-oxo-3-pyridinyl)prop-2-enamide
PubChem CID66633193
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC NameN-(1-butyl-5,6-dimethyl-2-oxo-3-pyridinyl)prop-2-enamide
SMILESC=CC(=O)Nc1cc(C)c(C)n(CCCC)c1=O
InChIInChI=1S/C14H20N2O2/c1-5-7-8-16-11(4)10(3)9-12(14(16)18)15-13(17)6-2/h6,9H,2,5,7-8H2,1,3-4H3,(H,15,17)
InChIKeyOTJDOFWFTPRVEF-UHFFFAOYSA-N
XLogP2.39
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(1-butyl-5,6-dimethyl-2-oxo-3-pyridinyl)prop-2-enamide?
The IUPAC name of N-(1-butyl-5,6-dimethyl-2-oxo-3-pyridinyl)prop-2-enamide (CID 66633193) is N-(1-butyl-5,6-dimethyl-2-oxo-3-pyridinyl)prop-2-enamide.
What is the SMILES notation for N-(1-butyl-5,6-dimethyl-2-oxo-3-pyridinyl)prop-2-enamide?
The canonical SMILES for N-(1-butyl-5,6-dimethyl-2-oxo-3-pyridinyl)prop-2-enamide is C=CC(=O)Nc1cc(C)c(C)n(CCCC)c1=O.
What is the InChIKey of N-(1-butyl-5,6-dimethyl-2-oxo-3-pyridinyl)prop-2-enamide?
The InChIKey is OTJDOFWFTPRVEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-5-7-8-16-11(4)10(3)9-12(14(16)18)15-13(17)6-2/h6,9H,2,5,7-8H2,1,3-4H3,(H,15,17).
What are the key properties of N-(1-butyl-5,6-dimethyl-2-oxo-3-pyridinyl)prop-2-enamide?
N-(1-butyl-5,6-dimethyl-2-oxo-3-pyridinyl)prop-2-enamide has a molecular weight of 248.33 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-butyl-5,6-dimethyl-2-oxo-3-pyridinyl)prop-2-enamide is sourced from PubChem (CID 66633193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).