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

C23H21Cl2FN4O4 — CID 71579785

IUPAC5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-N-(6-morpholin-4-yl-3-pyridinyl)-2-oxo-1H-pyridine-3-carboxamide
SMILESC[C@@H](Oc1c[nH]c(=O)c(C(=O)Nc2ccc(N3CCOCC3)nc2)c1)c1c(Cl)ccc(F)c1Cl
InChIInChI=1S/C23H21Cl2FN4O4/c1-13(20-17(24)3-4-18(26)21(20)25)34-15-10-16(22(31)28-12-15)23(32)29-14-2-5-19(27-11-14)30-6-8-33-9-7-30/h2-5,10-13H,6-9H2,1H3,(H,28,31)(H,29,32)/t13-/m1/s1
InChIKeyXJLDZCKVYGABML-CYBMUJFWSA-N
MW507.35 g/mol
LogP4.44
Rot. Bonds6

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

5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-N-(6-morpholin-4-yl-3-pyridinyl)-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 71579785) has the molecular formula C23H21Cl2FN4O4 and a molecular weight of 507.35 g/mol. Its IUPAC name is 5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-N-(6-morpholin-4-yl-3-pyridinyl)-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-N-(6-morpholin-4-yl-3-pyridinyl)-2-oxo-1H-pyridine-3-carboxamide
PubChem CID71579785
Molecular FormulaC23H21Cl2FN4O4
Molecular Weight507.35 g/mol
Exact Mass506.09
IUPAC Name5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-N-(6-morpholin-4-yl-3-pyridinyl)-2-oxo-1H-pyridine-3-carboxamide
SMILESC[C@@H](Oc1c[nH]c(=O)c(C(=O)Nc2ccc(N3CCOCC3)nc2)c1)c1c(Cl)ccc(F)c1Cl
InChIInChI=1S/C23H21Cl2FN4O4/c1-13(20-17(24)3-4-18(26)21(20)25)34-15-10-16(22(31)28-12-15)23(32)29-14-2-5-19(27-11-14)30-6-8-33-9-7-30/h2-5,10-13H,6-9H2,1H3,(H,28,31)(H,29,32)/t13-/m1/s1
InChIKeyXJLDZCKVYGABML-CYBMUJFWSA-N
XLogP4.44
TPSA96.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500507.35
LogP ≤ 54.44
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-(6-morpholin-4-yl-3-pyridinyl)-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of 5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-N-(6-morpholin-4-yl-3-pyridinyl)-2-oxo-1H-pyridine-3-carboxamide (CID 71579785) is 5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-N-(6-morpholin-4-yl-3-pyridinyl)-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for 5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-N-(6-morpholin-4-yl-3-pyridinyl)-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for 5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-N-(6-morpholin-4-yl-3-pyridinyl)-2-oxo-1H-pyridine-3-carboxamide is C[C@@H](Oc1c[nH]c(=O)c(C(=O)Nc2ccc(N3CCOCC3)nc2)c1)c1c(Cl)ccc(F)c1Cl.
What is the InChIKey of 5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-N-(6-morpholin-4-yl-3-pyridinyl)-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is XJLDZCKVYGABML-CYBMUJFWSA-N. The full InChI is InChI=1S/C23H21Cl2FN4O4/c1-13(20-17(24)3-4-18(26)21(20)25)34-15-10-16(22(31)28-12-15)23(32)29-14-2-5-19(27-11-14)30-6-8-33-9-7-30/h2-5,10-13H,6-9H2,1H3,(H,28,31)(H,29,32)/t13-/m1/s1.
What are the key properties of 5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-N-(6-morpholin-4-yl-3-pyridinyl)-2-oxo-1H-pyridine-3-carboxamide?
5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-N-(6-morpholin-4-yl-3-pyridinyl)-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 507.35 g/mol, XLogP of 4.44, 6 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-(6-morpholin-4-yl-3-pyridinyl)-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 71579785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).