4-[4-(dimethylamino)phenyl]-N-(4-ethoxyphenyl)-6-(1-fluorocyclohexyl)-2-oxo-1H-pyridine-3-carboxamide

C28H32FN3O3 — CID 129050888

IUPAC4-[4-(dimethylamino)phenyl]-N-(4-ethoxyphenyl)-6-(1-fluorocyclohexyl)-2-oxo-1H-pyridine-3-carboxamide
SMILESCCOc1ccc(NC(=O)c2c(-c3ccc(N(C)C)cc3)cc(C3(F)CCCCC3)[nH]c2=O)cc1
InChIInChI=1S/C28H32FN3O3/c1-4-35-22-14-10-20(11-15-22)30-26(33)25-23(19-8-12-21(13-9-19)32(2)3)18-24(31-27(25)34)28(29)16-6-5-7-17-28/h8-15,18H,4-7,16-17H2,1-3H3,(H,30,33)(H,31,34)
InChIKeyYLTDHAMNGJPZPG-UHFFFAOYSA-N
MW477.58 g/mol
LogP5.89
Rot. Bonds7

About 4-[4-(dimethylamino)phenyl]-N-(4-ethoxyphenyl)-6-(1-fluorocyclohexyl)-2-oxo-1H-pyridine-3-carboxamide

4-[4-(dimethylamino)phenyl]-N-(4-ethoxyphenyl)-6-(1-fluorocyclohexyl)-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 129050888) has the molecular formula C28H32FN3O3 and a molecular weight of 477.58 g/mol. Its IUPAC name is 4-[4-(dimethylamino)phenyl]-N-(4-ethoxyphenyl)-6-(1-fluorocyclohexyl)-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name4-[4-(dimethylamino)phenyl]-N-(4-ethoxyphenyl)-6-(1-fluorocyclohexyl)-2-oxo-1H-pyridine-3-carboxamide
PubChem CID129050888
Molecular FormulaC28H32FN3O3
Molecular Weight477.58 g/mol
Exact Mass477.24
IUPAC Name4-[4-(dimethylamino)phenyl]-N-(4-ethoxyphenyl)-6-(1-fluorocyclohexyl)-2-oxo-1H-pyridine-3-carboxamide
SMILESCCOc1ccc(NC(=O)c2c(-c3ccc(N(C)C)cc3)cc(C3(F)CCCCC3)[nH]c2=O)cc1
InChIInChI=1S/C28H32FN3O3/c1-4-35-22-14-10-20(11-15-22)30-26(33)25-23(19-8-12-21(13-9-19)32(2)3)18-24(31-27(25)34)28(29)16-6-5-7-17-28/h8-15,18H,4-7,16-17H2,1-3H3,(H,30,33)(H,31,34)
InChIKeyYLTDHAMNGJPZPG-UHFFFAOYSA-N
XLogP5.89
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.58
LogP ≤ 55.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(dimethylamino)phenyl]-N-(4-ethoxyphenyl)-6-(1-fluorocyclohexyl)-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of 4-[4-(dimethylamino)phenyl]-N-(4-ethoxyphenyl)-6-(1-fluorocyclohexyl)-2-oxo-1H-pyridine-3-carboxamide (CID 129050888) is 4-[4-(dimethylamino)phenyl]-N-(4-ethoxyphenyl)-6-(1-fluorocyclohexyl)-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for 4-[4-(dimethylamino)phenyl]-N-(4-ethoxyphenyl)-6-(1-fluorocyclohexyl)-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for 4-[4-(dimethylamino)phenyl]-N-(4-ethoxyphenyl)-6-(1-fluorocyclohexyl)-2-oxo-1H-pyridine-3-carboxamide is CCOc1ccc(NC(=O)c2c(-c3ccc(N(C)C)cc3)cc(C3(F)CCCCC3)[nH]c2=O)cc1.
What is the InChIKey of 4-[4-(dimethylamino)phenyl]-N-(4-ethoxyphenyl)-6-(1-fluorocyclohexyl)-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is YLTDHAMNGJPZPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32FN3O3/c1-4-35-22-14-10-20(11-15-22)30-26(33)25-23(19-8-12-21(13-9-19)32(2)3)18-24(31-27(25)34)28(29)16-6-5-7-17-28/h8-15,18H,4-7,16-17H2,1-3H3,(H,30,33)(H,31,34).
What are the key properties of 4-[4-(dimethylamino)phenyl]-N-(4-ethoxyphenyl)-6-(1-fluorocyclohexyl)-2-oxo-1H-pyridine-3-carboxamide?
4-[4-(dimethylamino)phenyl]-N-(4-ethoxyphenyl)-6-(1-fluorocyclohexyl)-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 477.58 g/mol, XLogP of 5.89, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(dimethylamino)phenyl]-N-(4-ethoxyphenyl)-6-(1-fluorocyclohexyl)-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 129050888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).