N-[3-(furan-2-yl)propyl]-6-(4-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide

C20H20N2O3 — CID 66497528

IUPACN-[3-(furan-2-yl)propyl]-6-(4-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide
SMILESCc1ccc(-c2ccc(C(=O)NCCCc3ccco3)c(=O)[nH]2)cc1
InChIInChI=1S/C20H20N2O3/c1-14-6-8-15(9-7-14)18-11-10-17(20(24)22-18)19(23)21-12-2-4-16-5-3-13-25-16/h3,5-11,13H,2,4,12H2,1H3,(H,21,23)(H,22,24)
InChIKeyABPSIWACDVAONG-UHFFFAOYSA-N
MW336.39 g/mol
LogP3.31
Rot. Bonds6

About N-[3-(furan-2-yl)propyl]-6-(4-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide

N-[3-(furan-2-yl)propyl]-6-(4-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 66497528) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is N-[3-(furan-2-yl)propyl]-6-(4-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(furan-2-yl)propyl]-6-(4-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide
PubChem CID66497528
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC NameN-[3-(furan-2-yl)propyl]-6-(4-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide
SMILESCc1ccc(-c2ccc(C(=O)NCCCc3ccco3)c(=O)[nH]2)cc1
InChIInChI=1S/C20H20N2O3/c1-14-6-8-15(9-7-14)18-11-10-17(20(24)22-18)19(23)21-12-2-4-16-5-3-13-25-16/h3,5-11,13H,2,4,12H2,1H3,(H,21,23)(H,22,24)
InChIKeyABPSIWACDVAONG-UHFFFAOYSA-N
XLogP3.31
TPSA75.10 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(furan-2-yl)propyl]-2-oxo-6-(4-phenylphenyl)-1H-pyridine-3-carboxamide
CID 66497554
N-[2-(furan-2-yl)ethyl]-2-oxo-6-(4-phenylphenyl)-1H-pyridine-3-carboxamide
CID 66497553
6-(4-fluorophenyl)-N-[2-(furan-2-yl)ethyl]-2-oxo-1H-pyridine-3-carboxamide
CID 66497779
N-[3-(furan-2-yl)propyl]-2,5-dimethylbenzamide
CID 100623229
6-(4-methylphenyl)-2-oxo-N-propyl-1H-pyridine-3-carboxamide
CID 66497542
N-[3-(furan-2-yl)propyl]-2-(4-methylphenyl)acetamide
CID 53283761
N-[2-(4-methylphenyl)sulfanylethyl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide
CID 55756725
N-(cyclopropylmethyl)-6-(4-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide
CID 66497565
6-(4-chlorophenyl)-2-oxo-N-pentyl-1H-pyridine-3-carboxamide
CID 66497759
2-(2,4-dimethylphenyl)-N-[3-(furan-2-yl)propyl]acetamide
CID 100597098
N-[2-(furan-2-yl)ethyl]-4-methylbenzamide
CID 5305680
6-(furan-2-yl)-N-(3-methylbutyl)-2-oxo-1H-pyridine-3-carboxamide
CID 47459019

Frequently Asked Questions

What is the IUPAC name of N-[3-(furan-2-yl)propyl]-6-(4-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[3-(furan-2-yl)propyl]-6-(4-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide (CID 66497528) is N-[3-(furan-2-yl)propyl]-6-(4-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[3-(furan-2-yl)propyl]-6-(4-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[3-(furan-2-yl)propyl]-6-(4-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide is Cc1ccc(-c2ccc(C(=O)NCCCc3ccco3)c(=O)[nH]2)cc1.
What is the InChIKey of N-[3-(furan-2-yl)propyl]-6-(4-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is ABPSIWACDVAONG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3/c1-14-6-8-15(9-7-14)18-11-10-17(20(24)22-18)19(23)21-12-2-4-16-5-3-13-25-16/h3,5-11,13H,2,4,12H2,1H3,(H,21,23)(H,22,24).
What are the key properties of N-[3-(furan-2-yl)propyl]-6-(4-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide?
N-[3-(furan-2-yl)propyl]-6-(4-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 336.39 g/mol, XLogP of 3.31, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(furan-2-yl)propyl]-6-(4-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 66497528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).