N-[2-[6-(2-fluoro-4-pyridinyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide

C23H22FN3O6 — CID 90062227

IUPACN-[2-[6-(2-fluoro-4-pyridinyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide
SMILESCOc1cc(C(=O)NCC(=O)c2ccc(OC)c(-c3ccnc(F)c3)n2)ccc1OCCO
InChIInChI=1S/C23H22FN3O6/c1-31-19-6-4-16(27-22(19)14-7-8-25-21(24)12-14)17(29)13-26-23(30)15-3-5-18(33-10-9-28)20(11-15)32-2/h3-8,11-12,28H,9-10,13H2,1-2H3,(H,26,30)
InChIKeyWJASZJGBTRDCSU-UHFFFAOYSA-N
MW455.44 g/mol
LogP2.28
Rot. Bonds10

About N-[2-[6-(2-fluoro-4-pyridinyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide

N-[2-[6-(2-fluoro-4-pyridinyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide (PubChem CID 90062227) has the molecular formula C23H22FN3O6 and a molecular weight of 455.44 g/mol. Its IUPAC name is N-[2-[6-(2-fluoro-4-pyridinyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide.

Molecular Properties

Compound NameN-[2-[6-(2-fluoro-4-pyridinyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide
PubChem CID90062227
Molecular FormulaC23H22FN3O6
Molecular Weight455.44 g/mol
Exact Mass455.15
IUPAC NameN-[2-[6-(2-fluoro-4-pyridinyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide
SMILESCOc1cc(C(=O)NCC(=O)c2ccc(OC)c(-c3ccnc(F)c3)n2)ccc1OCCO
InChIInChI=1S/C23H22FN3O6/c1-31-19-6-4-16(27-22(19)14-7-8-25-21(24)12-14)17(29)13-26-23(30)15-3-5-18(33-10-9-28)20(11-15)32-2/h3-8,11-12,28H,9-10,13H2,1-2H3,(H,26,30)
InChIKeyWJASZJGBTRDCSU-UHFFFAOYSA-N
XLogP2.28
TPSA119.87 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.44
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[6-(2-fluoro-4-pyridinyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide?
The IUPAC name of N-[2-[6-(2-fluoro-4-pyridinyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide (CID 90062227) is N-[2-[6-(2-fluoro-4-pyridinyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide.
What is the SMILES notation for N-[2-[6-(2-fluoro-4-pyridinyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide?
The canonical SMILES for N-[2-[6-(2-fluoro-4-pyridinyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide is COc1cc(C(=O)NCC(=O)c2ccc(OC)c(-c3ccnc(F)c3)n2)ccc1OCCO.
What is the InChIKey of N-[2-[6-(2-fluoro-4-pyridinyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide?
The InChIKey is WJASZJGBTRDCSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN3O6/c1-31-19-6-4-16(27-22(19)14-7-8-25-21(24)12-14)17(29)13-26-23(30)15-3-5-18(33-10-9-28)20(11-15)32-2/h3-8,11-12,28H,9-10,13H2,1-2H3,(H,26,30).
What are the key properties of N-[2-[6-(2-fluoro-4-pyridinyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide?
N-[2-[6-(2-fluoro-4-pyridinyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide has a molecular weight of 455.44 g/mol, XLogP of 2.28, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[6-(2-fluoro-4-pyridinyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide is sourced from PubChem (CID 90062227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).