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

C26H26Cl2FN3O5 — CID 71579883

IUPAC5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-N-[4-(2-morpholin-4-ylethoxy)phenyl]-2-oxo-1H-pyridine-3-carboxamide
SMILESC[C@@H](Oc1c[nH]c(=O)c(C(=O)Nc2ccc(OCCN3CCOCC3)cc2)c1)c1c(Cl)ccc(F)c1Cl
InChIInChI=1S/C26H26Cl2FN3O5/c1-16(23-21(27)6-7-22(29)24(23)28)37-19-14-20(25(33)30-15-19)26(34)31-17-2-4-18(5-3-17)36-13-10-32-8-11-35-12-9-32/h2-7,14-16H,8-13H2,1H3,(H,30,33)(H,31,34)/t16-/m1/s1
InChIKeyWZMOALQSKGSYTG-MRXNPFEDSA-N
MW550.41 g/mol
LogP4.92
Rot. Bonds9

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

5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-N-[4-(2-morpholin-4-ylethoxy)phenyl]-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 71579883) has the molecular formula C26H26Cl2FN3O5 and a molecular weight of 550.41 g/mol. Its IUPAC name is 5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-N-[4-(2-morpholin-4-ylethoxy)phenyl]-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-N-[4-(2-morpholin-4-ylethoxy)phenyl]-2-oxo-1H-pyridine-3-carboxamide
PubChem CID71579883
Molecular FormulaC26H26Cl2FN3O5
Molecular Weight550.41 g/mol
Exact Mass549.12
IUPAC Name5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-N-[4-(2-morpholin-4-ylethoxy)phenyl]-2-oxo-1H-pyridine-3-carboxamide
SMILESC[C@@H](Oc1c[nH]c(=O)c(C(=O)Nc2ccc(OCCN3CCOCC3)cc2)c1)c1c(Cl)ccc(F)c1Cl
InChIInChI=1S/C26H26Cl2FN3O5/c1-16(23-21(27)6-7-22(29)24(23)28)37-19-14-20(25(33)30-15-19)26(34)31-17-2-4-18(5-3-17)36-13-10-32-8-11-35-12-9-32/h2-7,14-16H,8-13H2,1H3,(H,30,33)(H,31,34)/t16-/m1/s1
InChIKeyWZMOALQSKGSYTG-MRXNPFEDSA-N
XLogP4.92
TPSA92.89 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500550.41
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'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-(2-morpholin-4-ylethoxy)phenyl]-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of 5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-N-[4-(2-morpholin-4-ylethoxy)phenyl]-2-oxo-1H-pyridine-3-carboxamide (CID 71579883) is 5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-N-[4-(2-morpholin-4-ylethoxy)phenyl]-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for 5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-N-[4-(2-morpholin-4-ylethoxy)phenyl]-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for 5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-N-[4-(2-morpholin-4-ylethoxy)phenyl]-2-oxo-1H-pyridine-3-carboxamide is C[C@@H](Oc1c[nH]c(=O)c(C(=O)Nc2ccc(OCCN3CCOCC3)cc2)c1)c1c(Cl)ccc(F)c1Cl.
What is the InChIKey of 5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-N-[4-(2-morpholin-4-ylethoxy)phenyl]-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is WZMOALQSKGSYTG-MRXNPFEDSA-N. The full InChI is InChI=1S/C26H26Cl2FN3O5/c1-16(23-21(27)6-7-22(29)24(23)28)37-19-14-20(25(33)30-15-19)26(34)31-17-2-4-18(5-3-17)36-13-10-32-8-11-35-12-9-32/h2-7,14-16H,8-13H2,1H3,(H,30,33)(H,31,34)/t16-/m1/s1.
What are the key properties of 5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-N-[4-(2-morpholin-4-ylethoxy)phenyl]-2-oxo-1H-pyridine-3-carboxamide?
5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-N-[4-(2-morpholin-4-ylethoxy)phenyl]-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 550.41 g/mol, XLogP of 4.92, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-N-[4-(2-morpholin-4-ylethoxy)phenyl]-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 71579883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).