2,6-diethyl-N-(2-ethylphenyl)-4-oxo-1-(3-phenylpropyl)pyridine-3-carboxamide

C27H32N2O2 — CID 23037902

IUPAC2,6-diethyl-N-(2-ethylphenyl)-4-oxo-1-(3-phenylpropyl)pyridine-3-carboxamide
SMILESCCc1ccccc1NC(=O)c1c(CC)n(CCCc2ccccc2)c(CC)cc1=O
InChIInChI=1S/C27H32N2O2/c1-4-21-16-10-11-17-23(21)28-27(31)26-24(6-3)29(22(5-2)19-25(26)30)18-12-15-20-13-8-7-9-14-20/h7-11,13-14,16-17,19H,4-6,12,15,18H2,1-3H3,(H,28,31)
InChIKeyPYQCEIPHKPPOMP-UHFFFAOYSA-N
MW416.57 g/mol
LogP5.42
Rot. Bonds9

About 2,6-diethyl-N-(2-ethylphenyl)-4-oxo-1-(3-phenylpropyl)pyridine-3-carboxamide

2,6-diethyl-N-(2-ethylphenyl)-4-oxo-1-(3-phenylpropyl)pyridine-3-carboxamide (PubChem CID 23037902) has the molecular formula C27H32N2O2 and a molecular weight of 416.57 g/mol. Its IUPAC name is 2,6-diethyl-N-(2-ethylphenyl)-4-oxo-1-(3-phenylpropyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2,6-diethyl-N-(2-ethylphenyl)-4-oxo-1-(3-phenylpropyl)pyridine-3-carboxamide
PubChem CID23037902
Molecular FormulaC27H32N2O2
Molecular Weight416.57 g/mol
Exact Mass416.25
IUPAC Name2,6-diethyl-N-(2-ethylphenyl)-4-oxo-1-(3-phenylpropyl)pyridine-3-carboxamide
SMILESCCc1ccccc1NC(=O)c1c(CC)n(CCCc2ccccc2)c(CC)cc1=O
InChIInChI=1S/C27H32N2O2/c1-4-21-16-10-11-17-23(21)28-27(31)26-24(6-3)29(22(5-2)19-25(26)30)18-12-15-20-13-8-7-9-14-20/h7-11,13-14,16-17,19H,4-6,12,15,18H2,1-3H3,(H,28,31)
InChIKeyPYQCEIPHKPPOMP-UHFFFAOYSA-N
XLogP5.42
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.57
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,6-diethyl-N-(2-ethylphenyl)-4-oxo-1-(3-phenylpropyl)pyridine-3-carboxamide?
The IUPAC name of 2,6-diethyl-N-(2-ethylphenyl)-4-oxo-1-(3-phenylpropyl)pyridine-3-carboxamide (CID 23037902) is 2,6-diethyl-N-(2-ethylphenyl)-4-oxo-1-(3-phenylpropyl)pyridine-3-carboxamide.
What is the SMILES notation for 2,6-diethyl-N-(2-ethylphenyl)-4-oxo-1-(3-phenylpropyl)pyridine-3-carboxamide?
The canonical SMILES for 2,6-diethyl-N-(2-ethylphenyl)-4-oxo-1-(3-phenylpropyl)pyridine-3-carboxamide is CCc1ccccc1NC(=O)c1c(CC)n(CCCc2ccccc2)c(CC)cc1=O.
What is the InChIKey of 2,6-diethyl-N-(2-ethylphenyl)-4-oxo-1-(3-phenylpropyl)pyridine-3-carboxamide?
The InChIKey is PYQCEIPHKPPOMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N2O2/c1-4-21-16-10-11-17-23(21)28-27(31)26-24(6-3)29(22(5-2)19-25(26)30)18-12-15-20-13-8-7-9-14-20/h7-11,13-14,16-17,19H,4-6,12,15,18H2,1-3H3,(H,28,31).
What are the key properties of 2,6-diethyl-N-(2-ethylphenyl)-4-oxo-1-(3-phenylpropyl)pyridine-3-carboxamide?
2,6-diethyl-N-(2-ethylphenyl)-4-oxo-1-(3-phenylpropyl)pyridine-3-carboxamide has a molecular weight of 416.57 g/mol, XLogP of 5.42, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-diethyl-N-(2-ethylphenyl)-4-oxo-1-(3-phenylpropyl)pyridine-3-carboxamide is sourced from PubChem (CID 23037902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).