5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-N-[(4-morpholin-4-ylphenyl)methyl]-2-oxo-1H-pyridine-3-carboxamide

C25H24Cl2FN3O4 — CID 71579972

IUPAC5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-N-[(4-morpholin-4-ylphenyl)methyl]-2-oxo-1H-pyridine-3-carboxamide
SMILESC[C@@H](Oc1c[nH]c(=O)c(C(=O)NCc2ccc(N3CCOCC3)cc2)c1)c1c(Cl)ccc(F)c1Cl
InChIInChI=1S/C25H24Cl2FN3O4/c1-15(22-20(26)6-7-21(28)23(22)27)35-18-12-19(25(33)30-14-18)24(32)29-13-16-2-4-17(5-3-16)31-8-10-34-11-9-31/h2-7,12,14-15H,8-11,13H2,1H3,(H,29,32)(H,30,33)/t15-/m1/s1
InChIKeyWJMZJWDZHINWRE-OAHLLOKOSA-N
MW520.39 g/mol
LogP4.73
Rot. Bonds7

About 5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-N-[(4-morpholin-4-ylphenyl)methyl]-2-oxo-1H-pyridine-3-carboxamide

5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-N-[(4-morpholin-4-ylphenyl)methyl]-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 71579972) has the molecular formula C25H24Cl2FN3O4 and a molecular weight of 520.39 g/mol. Its IUPAC name is 5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-N-[(4-morpholin-4-ylphenyl)methyl]-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-N-[(4-morpholin-4-ylphenyl)methyl]-2-oxo-1H-pyridine-3-carboxamide
PubChem CID71579972
Molecular FormulaC25H24Cl2FN3O4
Molecular Weight520.39 g/mol
Exact Mass519.11
IUPAC Name5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-N-[(4-morpholin-4-ylphenyl)methyl]-2-oxo-1H-pyridine-3-carboxamide
SMILESC[C@@H](Oc1c[nH]c(=O)c(C(=O)NCc2ccc(N3CCOCC3)cc2)c1)c1c(Cl)ccc(F)c1Cl
InChIInChI=1S/C25H24Cl2FN3O4/c1-15(22-20(26)6-7-21(28)23(22)27)35-18-12-19(25(33)30-14-18)24(32)29-13-16-2-4-17(5-3-16)31-8-10-34-11-9-31/h2-7,12,14-15H,8-11,13H2,1H3,(H,29,32)(H,30,33)/t15-/m1/s1
InChIKeyWJMZJWDZHINWRE-OAHLLOKOSA-N
XLogP4.73
TPSA83.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500520.39
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-N-[(4-morpholin-4-ylphenyl)methyl]-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of 5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-N-[(4-morpholin-4-ylphenyl)methyl]-2-oxo-1H-pyridine-3-carboxamide (CID 71579972) is 5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-N-[(4-morpholin-4-ylphenyl)methyl]-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for 5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-N-[(4-morpholin-4-ylphenyl)methyl]-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for 5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-N-[(4-morpholin-4-ylphenyl)methyl]-2-oxo-1H-pyridine-3-carboxamide is C[C@@H](Oc1c[nH]c(=O)c(C(=O)NCc2ccc(N3CCOCC3)cc2)c1)c1c(Cl)ccc(F)c1Cl.
What is the InChIKey of 5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-N-[(4-morpholin-4-ylphenyl)methyl]-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is WJMZJWDZHINWRE-OAHLLOKOSA-N. The full InChI is InChI=1S/C25H24Cl2FN3O4/c1-15(22-20(26)6-7-21(28)23(22)27)35-18-12-19(25(33)30-14-18)24(32)29-13-16-2-4-17(5-3-16)31-8-10-34-11-9-31/h2-7,12,14-15H,8-11,13H2,1H3,(H,29,32)(H,30,33)/t15-/m1/s1.
What are the key properties of 5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-N-[(4-morpholin-4-ylphenyl)methyl]-2-oxo-1H-pyridine-3-carboxamide?
5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-N-[(4-morpholin-4-ylphenyl)methyl]-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 520.39 g/mol, XLogP of 4.73, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-N-[(4-morpholin-4-ylphenyl)methyl]-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 71579972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).