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

C25H22N2O3 — CID 66497554

IUPACN-[3-(furan-2-yl)propyl]-2-oxo-6-(4-phenylphenyl)-1H-pyridine-3-carboxamide
SMILESO=C(NCCCc1ccco1)c1ccc(-c2ccc(-c3ccccc3)cc2)[nH]c1=O
InChIInChI=1S/C25H22N2O3/c28-24(26-16-4-8-21-9-5-17-30-21)22-14-15-23(27-25(22)29)20-12-10-19(11-13-20)18-6-2-1-3-7-18/h1-3,5-7,9-15,17H,4,8,16H2,(H,26,28)(H,27,29)
InChIKeyNIZWMMDMIUQSKD-UHFFFAOYSA-N
MW398.46 g/mol
LogP4.66
Rot. Bonds7

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

N-[3-(furan-2-yl)propyl]-2-oxo-6-(4-phenylphenyl)-1H-pyridine-3-carboxamide (PubChem CID 66497554) has the molecular formula C25H22N2O3 and a molecular weight of 398.46 g/mol. Its IUPAC name is N-[3-(furan-2-yl)propyl]-2-oxo-6-(4-phenylphenyl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(furan-2-yl)propyl]-2-oxo-6-(4-phenylphenyl)-1H-pyridine-3-carboxamide
PubChem CID66497554
Molecular FormulaC25H22N2O3
Molecular Weight398.46 g/mol
Exact Mass398.16
IUPAC NameN-[3-(furan-2-yl)propyl]-2-oxo-6-(4-phenylphenyl)-1H-pyridine-3-carboxamide
SMILESO=C(NCCCc1ccco1)c1ccc(-c2ccc(-c3ccccc3)cc2)[nH]c1=O
InChIInChI=1S/C25H22N2O3/c28-24(26-16-4-8-21-9-5-17-30-21)22-14-15-23(27-25(22)29)20-12-10-19(11-13-20)18-6-2-1-3-7-18/h1-3,5-7,9-15,17H,4,8,16H2,(H,26,28)(H,27,29)
InChIKeyNIZWMMDMIUQSKD-UHFFFAOYSA-N
XLogP4.66
TPSA75.10 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 54.66
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-[2-(furan-2-yl)ethyl]-2-oxo-6-(4-phenylphenyl)-1H-pyridine-3-carboxamide
CID 66497553
N-[3-(furan-2-yl)propyl]-6-(4-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide
CID 66497528
6-(4-fluorophenyl)-N-[2-(furan-2-yl)ethyl]-2-oxo-1H-pyridine-3-carboxamide
CID 66497779
N-(2-cyanoethyl)-2-oxo-6-phenyl-1H-pyridine-3-carboxamide
CID 129350671
N-[2-(furan-2-yl)-2-hydroxypropyl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide
CID 111482538
N-[3-(4-fluorophenyl)sulfanylpropyl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide
CID 55757741
2-oxo-6-phenyl-1H-pyridine-3-carbohydrazide
CID 82521335
N-[3-(furan-2-yl)propyl]-2,5-dimethylbenzamide
CID 100623229
N-[2-(4-methylphenyl)sulfanylethyl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide
CID 55756725
6-(4-chlorophenyl)-2-oxo-N-pentyl-1H-pyridine-3-carboxamide
CID 66497759
N-[2-(cycloheptylamino)ethyl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide
CID 119620529
2-oxo-N-[2-[(2R)-oxolan-2-yl]ethyl]-6-phenyl-1H-pyridine-3-carboxamide
CID 95976361

Frequently Asked Questions

What is the IUPAC name of N-[3-(furan-2-yl)propyl]-2-oxo-6-(4-phenylphenyl)-1H-pyridine-3-carboxamide?
The IUPAC name of N-[3-(furan-2-yl)propyl]-2-oxo-6-(4-phenylphenyl)-1H-pyridine-3-carboxamide (CID 66497554) is N-[3-(furan-2-yl)propyl]-2-oxo-6-(4-phenylphenyl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[3-(furan-2-yl)propyl]-2-oxo-6-(4-phenylphenyl)-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[3-(furan-2-yl)propyl]-2-oxo-6-(4-phenylphenyl)-1H-pyridine-3-carboxamide is O=C(NCCCc1ccco1)c1ccc(-c2ccc(-c3ccccc3)cc2)[nH]c1=O.
What is the InChIKey of N-[3-(furan-2-yl)propyl]-2-oxo-6-(4-phenylphenyl)-1H-pyridine-3-carboxamide?
The InChIKey is NIZWMMDMIUQSKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2O3/c28-24(26-16-4-8-21-9-5-17-30-21)22-14-15-23(27-25(22)29)20-12-10-19(11-13-20)18-6-2-1-3-7-18/h1-3,5-7,9-15,17H,4,8,16H2,(H,26,28)(H,27,29).
What are the key properties of N-[3-(furan-2-yl)propyl]-2-oxo-6-(4-phenylphenyl)-1H-pyridine-3-carboxamide?
N-[3-(furan-2-yl)propyl]-2-oxo-6-(4-phenylphenyl)-1H-pyridine-3-carboxamide has a molecular weight of 398.46 g/mol, XLogP of 4.66, 7 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]-2-oxo-6-(4-phenylphenyl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 66497554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).