N-(3,3-diphenylpropyl)-1-(2-ethoxyethyl)-6-oxopyridine-3-carboxamide

C25H28N2O3 — CID 16679589

IUPACN-(3,3-diphenylpropyl)-1-(2-ethoxyethyl)-6-oxopyridine-3-carboxamide
SMILESCCOCCn1cc(C(=O)NCCC(c2ccccc2)c2ccccc2)ccc1=O
InChIInChI=1S/C25H28N2O3/c1-2-30-18-17-27-19-22(13-14-24(27)28)25(29)26-16-15-23(20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-14,19,23H,2,15-18H2,1H3,(H,26,29)
InChIKeyFRFOVMCWEGGFDM-UHFFFAOYSA-N
MW404.51 g/mol
LogP3.84
Rot. Bonds10

About N-(3,3-diphenylpropyl)-1-(2-ethoxyethyl)-6-oxopyridine-3-carboxamide

N-(3,3-diphenylpropyl)-1-(2-ethoxyethyl)-6-oxopyridine-3-carboxamide (PubChem CID 16679589) has the molecular formula C25H28N2O3 and a molecular weight of 404.51 g/mol. Its IUPAC name is N-(3,3-diphenylpropyl)-1-(2-ethoxyethyl)-6-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3,3-diphenylpropyl)-1-(2-ethoxyethyl)-6-oxopyridine-3-carboxamide
PubChem CID16679589
Molecular FormulaC25H28N2O3
Molecular Weight404.51 g/mol
Exact Mass404.21
IUPAC NameN-(3,3-diphenylpropyl)-1-(2-ethoxyethyl)-6-oxopyridine-3-carboxamide
SMILESCCOCCn1cc(C(=O)NCCC(c2ccccc2)c2ccccc2)ccc1=O
InChIInChI=1S/C25H28N2O3/c1-2-30-18-17-27-19-22(13-14-24(27)28)25(29)26-16-15-23(20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-14,19,23H,2,15-18H2,1H3,(H,26,29)
InChIKeyFRFOVMCWEGGFDM-UHFFFAOYSA-N
XLogP3.84
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3,3-diphenylpropyl)-1-(2-ethoxyethyl)-6-oxopyridine-3-carboxamide?
The IUPAC name of N-(3,3-diphenylpropyl)-1-(2-ethoxyethyl)-6-oxopyridine-3-carboxamide (CID 16679589) is N-(3,3-diphenylpropyl)-1-(2-ethoxyethyl)-6-oxopyridine-3-carboxamide.
What is the SMILES notation for N-(3,3-diphenylpropyl)-1-(2-ethoxyethyl)-6-oxopyridine-3-carboxamide?
The canonical SMILES for N-(3,3-diphenylpropyl)-1-(2-ethoxyethyl)-6-oxopyridine-3-carboxamide is CCOCCn1cc(C(=O)NCCC(c2ccccc2)c2ccccc2)ccc1=O.
What is the InChIKey of N-(3,3-diphenylpropyl)-1-(2-ethoxyethyl)-6-oxopyridine-3-carboxamide?
The InChIKey is FRFOVMCWEGGFDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O3/c1-2-30-18-17-27-19-22(13-14-24(27)28)25(29)26-16-15-23(20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-14,19,23H,2,15-18H2,1H3,(H,26,29).
What are the key properties of N-(3,3-diphenylpropyl)-1-(2-ethoxyethyl)-6-oxopyridine-3-carboxamide?
N-(3,3-diphenylpropyl)-1-(2-ethoxyethyl)-6-oxopyridine-3-carboxamide has a molecular weight of 404.51 g/mol, XLogP of 3.84, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-diphenylpropyl)-1-(2-ethoxyethyl)-6-oxopyridine-3-carboxamide is sourced from PubChem (CID 16679589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).