6-methyl-4-oxo-1-pentyl-N-phenylpyridine-3-carboxamide

C18H22N2O2 — CID 71455190

IUPAC6-methyl-4-oxo-1-pentyl-N-phenylpyridine-3-carboxamide
SMILESCCCCCn1cc(C(=O)Nc2ccccc2)c(=O)cc1C
InChIInChI=1S/C18H22N2O2/c1-3-4-8-11-20-13-16(17(21)12-14(20)2)18(22)19-15-9-6-5-7-10-15/h5-7,9-10,12-13H,3-4,8,11H2,1-2H3,(H,19,22)
InChIKeyZUGSKGOXKOPJLC-UHFFFAOYSA-N
MW298.39 g/mol
LogP3.60
Rot. Bonds6

About 6-methyl-4-oxo-1-pentyl-N-phenylpyridine-3-carboxamide

6-methyl-4-oxo-1-pentyl-N-phenylpyridine-3-carboxamide (PubChem CID 71455190) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 6-methyl-4-oxo-1-pentyl-N-phenylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-methyl-4-oxo-1-pentyl-N-phenylpyridine-3-carboxamide
PubChem CID71455190
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name6-methyl-4-oxo-1-pentyl-N-phenylpyridine-3-carboxamide
SMILESCCCCCn1cc(C(=O)Nc2ccccc2)c(=O)cc1C
InChIInChI=1S/C18H22N2O2/c1-3-4-8-11-20-13-16(17(21)12-14(20)2)18(22)19-15-9-6-5-7-10-15/h5-7,9-10,12-13H,3-4,8,11H2,1-2H3,(H,19,22)
InChIKeyZUGSKGOXKOPJLC-UHFFFAOYSA-N
XLogP3.60
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 6-methyl-4-oxo-1-pentyl-N-phenylpyridine-3-carboxamide?
The IUPAC name of 6-methyl-4-oxo-1-pentyl-N-phenylpyridine-3-carboxamide (CID 71455190) is 6-methyl-4-oxo-1-pentyl-N-phenylpyridine-3-carboxamide.
What is the SMILES notation for 6-methyl-4-oxo-1-pentyl-N-phenylpyridine-3-carboxamide?
The canonical SMILES for 6-methyl-4-oxo-1-pentyl-N-phenylpyridine-3-carboxamide is CCCCCn1cc(C(=O)Nc2ccccc2)c(=O)cc1C.
What is the InChIKey of 6-methyl-4-oxo-1-pentyl-N-phenylpyridine-3-carboxamide?
The InChIKey is ZUGSKGOXKOPJLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-3-4-8-11-20-13-16(17(21)12-14(20)2)18(22)19-15-9-6-5-7-10-15/h5-7,9-10,12-13H,3-4,8,11H2,1-2H3,(H,19,22).
What are the key properties of 6-methyl-4-oxo-1-pentyl-N-phenylpyridine-3-carboxamide?
6-methyl-4-oxo-1-pentyl-N-phenylpyridine-3-carboxamide has a molecular weight of 298.39 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-oxo-1-pentyl-N-phenylpyridine-3-carboxamide is sourced from PubChem (CID 71455190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).