N-(4-methoxyphenyl)-1-(3-methylbut-2-enyl)-2-oxopyridine-3-carboxamide

C18H20N2O3 — CID 1486134

IUPACN-(4-methoxyphenyl)-1-(3-methylbut-2-enyl)-2-oxopyridine-3-carboxamide
SMILESCOc1ccc(NC(=O)c2cccn(CC=C(C)C)c2=O)cc1
InChIInChI=1S/C18H20N2O3/c1-13(2)10-12-20-11-4-5-16(18(20)22)17(21)19-14-6-8-15(23-3)9-7-14/h4-11H,12H2,1-3H3,(H,19,21)
InChIKeyMLXBFDUIIMRCAH-UHFFFAOYSA-N
MW312.37 g/mol
LogP3.08
Rot. Bonds5

About N-(4-methoxyphenyl)-1-(3-methylbut-2-enyl)-2-oxopyridine-3-carboxamide

N-(4-methoxyphenyl)-1-(3-methylbut-2-enyl)-2-oxopyridine-3-carboxamide (PubChem CID 1486134) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-1-(3-methylbut-2-enyl)-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-1-(3-methylbut-2-enyl)-2-oxopyridine-3-carboxamide
PubChem CID1486134
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC NameN-(4-methoxyphenyl)-1-(3-methylbut-2-enyl)-2-oxopyridine-3-carboxamide
SMILESCOc1ccc(NC(=O)c2cccn(CC=C(C)C)c2=O)cc1
InChIInChI=1S/C18H20N2O3/c1-13(2)10-12-20-11-4-5-16(18(20)22)17(21)19-14-6-8-15(23-3)9-7-14/h4-11H,12H2,1-3H3,(H,19,21)
InChIKeyMLXBFDUIIMRCAH-UHFFFAOYSA-N
XLogP3.08
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 53.08
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-(4-methoxyphenyl)-1-(3-methylbut-2-enyl)-2-oxopyridine-3-carboxamide?
The IUPAC name of N-(4-methoxyphenyl)-1-(3-methylbut-2-enyl)-2-oxopyridine-3-carboxamide (CID 1486134) is N-(4-methoxyphenyl)-1-(3-methylbut-2-enyl)-2-oxopyridine-3-carboxamide.
What is the SMILES notation for N-(4-methoxyphenyl)-1-(3-methylbut-2-enyl)-2-oxopyridine-3-carboxamide?
The canonical SMILES for N-(4-methoxyphenyl)-1-(3-methylbut-2-enyl)-2-oxopyridine-3-carboxamide is COc1ccc(NC(=O)c2cccn(CC=C(C)C)c2=O)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-1-(3-methylbut-2-enyl)-2-oxopyridine-3-carboxamide?
The InChIKey is MLXBFDUIIMRCAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-13(2)10-12-20-11-4-5-16(18(20)22)17(21)19-14-6-8-15(23-3)9-7-14/h4-11H,12H2,1-3H3,(H,19,21).
What are the key properties of N-(4-methoxyphenyl)-1-(3-methylbut-2-enyl)-2-oxopyridine-3-carboxamide?
N-(4-methoxyphenyl)-1-(3-methylbut-2-enyl)-2-oxopyridine-3-carboxamide has a molecular weight of 312.37 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-1-(3-methylbut-2-enyl)-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 1486134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).