N-[1-[4-(2-methylpropyl)phenyl]ethyl]-6-oxo-1H-pyridine-3-carboxamide

C18H22N2O2 — CID 4880418

IUPACN-[1-[4-(2-methylpropyl)phenyl]ethyl]-6-oxo-1H-pyridine-3-carboxamide
SMILESCC(C)Cc1ccc(C(C)NC(=O)c2ccc(=O)[nH]c2)cc1
InChIInChI=1S/C18H22N2O2/c1-12(2)10-14-4-6-15(7-5-14)13(3)20-18(22)16-8-9-17(21)19-11-16/h4-9,11-13H,10H2,1-3H3,(H,19,21)(H,20,22)
InChIKeyXQGUOQYMXWVSOY-UHFFFAOYSA-N
MW298.39 g/mol
LogP3.06
Rot. Bonds5

About N-[1-[4-(2-methylpropyl)phenyl]ethyl]-6-oxo-1H-pyridine-3-carboxamide

N-[1-[4-(2-methylpropyl)phenyl]ethyl]-6-oxo-1H-pyridine-3-carboxamide (PubChem CID 4880418) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is N-[1-[4-(2-methylpropyl)phenyl]ethyl]-6-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-[4-(2-methylpropyl)phenyl]ethyl]-6-oxo-1H-pyridine-3-carboxamide
PubChem CID4880418
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC NameN-[1-[4-(2-methylpropyl)phenyl]ethyl]-6-oxo-1H-pyridine-3-carboxamide
SMILESCC(C)Cc1ccc(C(C)NC(=O)c2ccc(=O)[nH]c2)cc1
InChIInChI=1S/C18H22N2O2/c1-12(2)10-14-4-6-15(7-5-14)13(3)20-18(22)16-8-9-17(21)19-11-16/h4-9,11-13H,10H2,1-3H3,(H,19,21)(H,20,22)
InChIKeyXQGUOQYMXWVSOY-UHFFFAOYSA-N
XLogP3.06
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(2-methylpropyl)phenyl]ethyl]-6-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[1-[4-(2-methylpropyl)phenyl]ethyl]-6-oxo-1H-pyridine-3-carboxamide (CID 4880418) is N-[1-[4-(2-methylpropyl)phenyl]ethyl]-6-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[1-[4-(2-methylpropyl)phenyl]ethyl]-6-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[1-[4-(2-methylpropyl)phenyl]ethyl]-6-oxo-1H-pyridine-3-carboxamide is CC(C)Cc1ccc(C(C)NC(=O)c2ccc(=O)[nH]c2)cc1.
What is the InChIKey of N-[1-[4-(2-methylpropyl)phenyl]ethyl]-6-oxo-1H-pyridine-3-carboxamide?
The InChIKey is XQGUOQYMXWVSOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-12(2)10-14-4-6-15(7-5-14)13(3)20-18(22)16-8-9-17(21)19-11-16/h4-9,11-13H,10H2,1-3H3,(H,19,21)(H,20,22).
What are the key properties of N-[1-[4-(2-methylpropyl)phenyl]ethyl]-6-oxo-1H-pyridine-3-carboxamide?
N-[1-[4-(2-methylpropyl)phenyl]ethyl]-6-oxo-1H-pyridine-3-carboxamide has a molecular weight of 298.39 g/mol, XLogP of 3.06, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(2-methylpropyl)phenyl]ethyl]-6-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 4880418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).