6-cyclohexyl-N-(4-ethoxyphenyl)-5-fluoro-4-(4-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide

C27H29FN2O3 — CID 129050853

IUPAC6-cyclohexyl-N-(4-ethoxyphenyl)-5-fluoro-4-(4-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide
SMILESCCOc1ccc(NC(=O)c2c(-c3ccc(C)cc3)c(F)c(C3CCCCC3)[nH]c2=O)cc1
InChIInChI=1S/C27H29FN2O3/c1-3-33-21-15-13-20(14-16-21)29-26(31)23-22(18-11-9-17(2)10-12-18)24(28)25(30-27(23)32)19-7-5-4-6-8-19/h9-16,19H,3-8H2,1-2H3,(H,29,31)(H,30,32)
InChIKeyQPCBKNVZYOCNGX-UHFFFAOYSA-N
MW448.54 g/mol
LogP6.19
Rot. Bonds6

About 6-cyclohexyl-N-(4-ethoxyphenyl)-5-fluoro-4-(4-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide

6-cyclohexyl-N-(4-ethoxyphenyl)-5-fluoro-4-(4-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 129050853) has the molecular formula C27H29FN2O3 and a molecular weight of 448.54 g/mol. Its IUPAC name is 6-cyclohexyl-N-(4-ethoxyphenyl)-5-fluoro-4-(4-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name6-cyclohexyl-N-(4-ethoxyphenyl)-5-fluoro-4-(4-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide
PubChem CID129050853
Molecular FormulaC27H29FN2O3
Molecular Weight448.54 g/mol
Exact Mass448.22
IUPAC Name6-cyclohexyl-N-(4-ethoxyphenyl)-5-fluoro-4-(4-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide
SMILESCCOc1ccc(NC(=O)c2c(-c3ccc(C)cc3)c(F)c(C3CCCCC3)[nH]c2=O)cc1
InChIInChI=1S/C27H29FN2O3/c1-3-33-21-15-13-20(14-16-21)29-26(31)23-22(18-11-9-17(2)10-12-18)24(28)25(30-27(23)32)19-7-5-4-6-8-19/h9-16,19H,3-8H2,1-2H3,(H,29,31)(H,30,32)
InChIKeyQPCBKNVZYOCNGX-UHFFFAOYSA-N
XLogP6.19
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.54
LogP ≤ 56.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-cyclohexyl-4-[2-(dimethylamino)-1,3-thiazol-5-yl]-N-(4-ethoxyphenyl)-2-oxo-1H-pyridine-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 6-cyclohexyl-N-(4-ethoxyphenyl)-5-fluoro-4-(4-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of 6-cyclohexyl-N-(4-ethoxyphenyl)-5-fluoro-4-(4-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide (CID 129050853) is 6-cyclohexyl-N-(4-ethoxyphenyl)-5-fluoro-4-(4-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for 6-cyclohexyl-N-(4-ethoxyphenyl)-5-fluoro-4-(4-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for 6-cyclohexyl-N-(4-ethoxyphenyl)-5-fluoro-4-(4-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide is CCOc1ccc(NC(=O)c2c(-c3ccc(C)cc3)c(F)c(C3CCCCC3)[nH]c2=O)cc1.
What is the InChIKey of 6-cyclohexyl-N-(4-ethoxyphenyl)-5-fluoro-4-(4-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is QPCBKNVZYOCNGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29FN2O3/c1-3-33-21-15-13-20(14-16-21)29-26(31)23-22(18-11-9-17(2)10-12-18)24(28)25(30-27(23)32)19-7-5-4-6-8-19/h9-16,19H,3-8H2,1-2H3,(H,29,31)(H,30,32).
What are the key properties of 6-cyclohexyl-N-(4-ethoxyphenyl)-5-fluoro-4-(4-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide?
6-cyclohexyl-N-(4-ethoxyphenyl)-5-fluoro-4-(4-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 448.54 g/mol, XLogP of 6.19, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclohexyl-N-(4-ethoxyphenyl)-5-fluoro-4-(4-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 129050853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).