N-(5-acetyl-6-methyl-2-oxo-1-prop-2-enyl-3-pyridinyl)benzamide

C18H18N2O3 — CID 1471157

IUPACN-(5-acetyl-6-methyl-2-oxo-1-prop-2-enyl-3-pyridinyl)benzamide
SMILESC=CCn1c(C)c(C(C)=O)cc(NC(=O)c2ccccc2)c1=O
InChIInChI=1S/C18H18N2O3/c1-4-10-20-12(2)15(13(3)21)11-16(18(20)23)19-17(22)14-8-6-5-7-9-14/h4-9,11H,1,10H2,2-3H3,(H,19,22)
InChIKeyZWMRWPAQYCKGCU-UHFFFAOYSA-N
MW310.35 g/mol
LogP2.80
Rot. Bonds5

About N-(5-acetyl-6-methyl-2-oxo-1-prop-2-enyl-3-pyridinyl)benzamide

N-(5-acetyl-6-methyl-2-oxo-1-prop-2-enyl-3-pyridinyl)benzamide (PubChem CID 1471157) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is N-(5-acetyl-6-methyl-2-oxo-1-prop-2-enyl-3-pyridinyl)benzamide.

Molecular Properties

Compound NameN-(5-acetyl-6-methyl-2-oxo-1-prop-2-enyl-3-pyridinyl)benzamide
PubChem CID1471157
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC NameN-(5-acetyl-6-methyl-2-oxo-1-prop-2-enyl-3-pyridinyl)benzamide
SMILESC=CCn1c(C)c(C(C)=O)cc(NC(=O)c2ccccc2)c1=O
InChIInChI=1S/C18H18N2O3/c1-4-10-20-12(2)15(13(3)21)11-16(18(20)23)19-17(22)14-8-6-5-7-9-14/h4-9,11H,1,10H2,2-3H3,(H,19,22)
InChIKeyZWMRWPAQYCKGCU-UHFFFAOYSA-N
XLogP2.80
TPSA68.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(5-acetyl-6-methyl-2-oxo-1-prop-2-enyl-3-pyridinyl)benzamide?
The IUPAC name of N-(5-acetyl-6-methyl-2-oxo-1-prop-2-enyl-3-pyridinyl)benzamide (CID 1471157) is N-(5-acetyl-6-methyl-2-oxo-1-prop-2-enyl-3-pyridinyl)benzamide.
What is the SMILES notation for N-(5-acetyl-6-methyl-2-oxo-1-prop-2-enyl-3-pyridinyl)benzamide?
The canonical SMILES for N-(5-acetyl-6-methyl-2-oxo-1-prop-2-enyl-3-pyridinyl)benzamide is C=CCn1c(C)c(C(C)=O)cc(NC(=O)c2ccccc2)c1=O.
What is the InChIKey of N-(5-acetyl-6-methyl-2-oxo-1-prop-2-enyl-3-pyridinyl)benzamide?
The InChIKey is ZWMRWPAQYCKGCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3/c1-4-10-20-12(2)15(13(3)21)11-16(18(20)23)19-17(22)14-8-6-5-7-9-14/h4-9,11H,1,10H2,2-3H3,(H,19,22).
What are the key properties of N-(5-acetyl-6-methyl-2-oxo-1-prop-2-enyl-3-pyridinyl)benzamide?
N-(5-acetyl-6-methyl-2-oxo-1-prop-2-enyl-3-pyridinyl)benzamide has a molecular weight of 310.35 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetyl-6-methyl-2-oxo-1-prop-2-enyl-3-pyridinyl)benzamide is sourced from PubChem (CID 1471157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).