N-[3-(4-methoxyphenyl)propyl]-1-methyl-6-oxopyridine-3-carboxamide

C17H20N2O3 — CID 77089921

IUPACN-[3-(4-methoxyphenyl)propyl]-1-methyl-6-oxopyridine-3-carboxamide
SMILESCOc1ccc(CCCNC(=O)c2ccc(=O)n(C)c2)cc1
InChIInChI=1S/C17H20N2O3/c1-19-12-14(7-10-16(19)20)17(21)18-11-3-4-13-5-8-15(22-2)9-6-13/h5-10,12H,3-4,11H2,1-2H3,(H,18,21)
InChIKeyCGYQLYDZGSTISN-UHFFFAOYSA-N
MW300.36 g/mol
LogP1.76
Rot. Bonds6

About N-[3-(4-methoxyphenyl)propyl]-1-methyl-6-oxopyridine-3-carboxamide

N-[3-(4-methoxyphenyl)propyl]-1-methyl-6-oxopyridine-3-carboxamide (PubChem CID 77089921) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is N-[3-(4-methoxyphenyl)propyl]-1-methyl-6-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(4-methoxyphenyl)propyl]-1-methyl-6-oxopyridine-3-carboxamide
PubChem CID77089921
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC NameN-[3-(4-methoxyphenyl)propyl]-1-methyl-6-oxopyridine-3-carboxamide
SMILESCOc1ccc(CCCNC(=O)c2ccc(=O)n(C)c2)cc1
InChIInChI=1S/C17H20N2O3/c1-19-12-14(7-10-16(19)20)17(21)18-11-3-4-13-5-8-15(22-2)9-6-13/h5-10,12H,3-4,11H2,1-2H3,(H,18,21)
InChIKeyCGYQLYDZGSTISN-UHFFFAOYSA-N
XLogP1.76
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[3-(4-methoxyphenyl)propyl]-1-methyl-6-oxopyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-(4-methoxyphenyl)propyl]-4-morpholin-4-ylbenzamide
CID 70702781
N-[3-(4-methoxyphenyl)propyl]-2,4,5-trimethylbenzamide
CID 84534524
N-[3-(4-methoxyphenyl)propyl]-4-(2-phenylsulfanylethoxy)benzamide
CID 43909022
4-(imidazol-1-ylmethyl)-N-[3-(4-methoxyphenyl)propyl]benzamide
CID 46773577
4-N-[2-(4-methoxyphenyl)ethyl]-1-N-propylbenzene-1,4-dicarboxamide
CID 109042916
4-butoxy-N-[2-(4-methoxyphenyl)ethyl]benzamide
CID 7997659
6-methoxy-N-(4-phenylbutyl)naphthalene-2-carboxamide
CID 110169894
2-amino-N-[3-(4-methoxyphenyl)propyl]acetamide
CID 119299625
N-[3-(4-methoxyphenyl)propyl]-2-(methylamino)pyridine-4-carboxamide
CID 74243419
N-[3-(4-methoxyphenyl)propyl]-6-(4-methyl-1,4-diazepan-1-yl)pyridine-3-carboxamide
CID 29255180
4-methoxy-N-pentylbenzamide
CID 3113360
4-methoxy-N-(4-methoxybutyl)benzamide
CID 110417955

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-methoxyphenyl)propyl]-1-methyl-6-oxopyridine-3-carboxamide?
The IUPAC name of N-[3-(4-methoxyphenyl)propyl]-1-methyl-6-oxopyridine-3-carboxamide (CID 77089921) is N-[3-(4-methoxyphenyl)propyl]-1-methyl-6-oxopyridine-3-carboxamide.
What is the SMILES notation for N-[3-(4-methoxyphenyl)propyl]-1-methyl-6-oxopyridine-3-carboxamide?
The canonical SMILES for N-[3-(4-methoxyphenyl)propyl]-1-methyl-6-oxopyridine-3-carboxamide is COc1ccc(CCCNC(=O)c2ccc(=O)n(C)c2)cc1.
What is the InChIKey of N-[3-(4-methoxyphenyl)propyl]-1-methyl-6-oxopyridine-3-carboxamide?
The InChIKey is CGYQLYDZGSTISN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-19-12-14(7-10-16(19)20)17(21)18-11-3-4-13-5-8-15(22-2)9-6-13/h5-10,12H,3-4,11H2,1-2H3,(H,18,21).
What are the key properties of N-[3-(4-methoxyphenyl)propyl]-1-methyl-6-oxopyridine-3-carboxamide?
N-[3-(4-methoxyphenyl)propyl]-1-methyl-6-oxopyridine-3-carboxamide has a molecular weight of 300.36 g/mol, XLogP of 1.76, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-methoxyphenyl)propyl]-1-methyl-6-oxopyridine-3-carboxamide is sourced from PubChem (CID 77089921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).