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

C25H22FN3O6 — CID 90061641

IUPACN-[2-[6-(3-cyano-4-fluorophenyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide
SMILESCOc1cc(C(=O)NCC(=O)c2ccc(OC)c(-c3ccc(F)c(C#N)c3)n2)ccc1OCCO
InChIInChI=1S/C25H22FN3O6/c1-33-22-8-6-19(29-24(22)15-3-5-18(26)17(11-15)13-27)20(31)14-28-25(32)16-4-7-21(35-10-9-30)23(12-16)34-2/h3-8,11-12,30H,9-10,14H2,1-2H3,(H,28,32)
InChIKeyCUJSFPPCQZOQLS-UHFFFAOYSA-N
MW479.46 g/mol
LogP2.76
Rot. Bonds10

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

N-[2-[6-(3-cyano-4-fluorophenyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide (PubChem CID 90061641) has the molecular formula C25H22FN3O6 and a molecular weight of 479.46 g/mol. Its IUPAC name is N-[2-[6-(3-cyano-4-fluorophenyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide.

Molecular Properties

Compound NameN-[2-[6-(3-cyano-4-fluorophenyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide
PubChem CID90061641
Molecular FormulaC25H22FN3O6
Molecular Weight479.46 g/mol
Exact Mass479.15
IUPAC NameN-[2-[6-(3-cyano-4-fluorophenyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide
SMILESCOc1cc(C(=O)NCC(=O)c2ccc(OC)c(-c3ccc(F)c(C#N)c3)n2)ccc1OCCO
InChIInChI=1S/C25H22FN3O6/c1-33-22-8-6-19(29-24(22)15-3-5-18(26)17(11-15)13-27)20(31)14-28-25(32)16-4-7-21(35-10-9-30)23(12-16)34-2/h3-8,11-12,30H,9-10,14H2,1-2H3,(H,28,32)
InChIKeyCUJSFPPCQZOQLS-UHFFFAOYSA-N
XLogP2.76
TPSA130.77 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.46
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[2-[6-(3-cyano-4-fluorophenyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-[6-(3-cyano-4-fluorophenyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide?
The IUPAC name of N-[2-[6-(3-cyano-4-fluorophenyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide (CID 90061641) is N-[2-[6-(3-cyano-4-fluorophenyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide.
What is the SMILES notation for N-[2-[6-(3-cyano-4-fluorophenyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide?
The canonical SMILES for N-[2-[6-(3-cyano-4-fluorophenyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide is COc1cc(C(=O)NCC(=O)c2ccc(OC)c(-c3ccc(F)c(C#N)c3)n2)ccc1OCCO.
What is the InChIKey of N-[2-[6-(3-cyano-4-fluorophenyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide?
The InChIKey is CUJSFPPCQZOQLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22FN3O6/c1-33-22-8-6-19(29-24(22)15-3-5-18(26)17(11-15)13-27)20(31)14-28-25(32)16-4-7-21(35-10-9-30)23(12-16)34-2/h3-8,11-12,30H,9-10,14H2,1-2H3,(H,28,32).
What are the key properties of N-[2-[6-(3-cyano-4-fluorophenyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide?
N-[2-[6-(3-cyano-4-fluorophenyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide has a molecular weight of 479.46 g/mol, XLogP of 2.76, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[6-(3-cyano-4-fluorophenyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide is sourced from PubChem (CID 90061641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).