N-[2-ethyl-4-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)phenyl]-3,5-difluoropyridine-4-carboxamide

C23H20F2N2O3 — CID 123671956

IUPACN-[2-ethyl-4-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)phenyl]-3,5-difluoropyridine-4-carboxamide
SMILESCCc1cc(-c2cc3c(cc2C)OCCO3)ccc1NC(=O)c1c(F)cncc1F
InChIInChI=1S/C23H20F2N2O3/c1-3-14-9-15(16-10-21-20(8-13(16)2)29-6-7-30-21)4-5-19(14)27-23(28)22-17(24)11-26-12-18(22)25/h4-5,8-12H,3,6-7H2,1-2H3,(H,27,28)
InChIKeyJOQMPXJUODHDBY-UHFFFAOYSA-N
MW410.42 g/mol
LogP4.92
Rot. Bonds4

About N-[2-ethyl-4-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)phenyl]-3,5-difluoropyridine-4-carboxamide

N-[2-ethyl-4-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)phenyl]-3,5-difluoropyridine-4-carboxamide (PubChem CID 123671956) has the molecular formula C23H20F2N2O3 and a molecular weight of 410.42 g/mol. Its IUPAC name is N-[2-ethyl-4-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)phenyl]-3,5-difluoropyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-ethyl-4-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)phenyl]-3,5-difluoropyridine-4-carboxamide
PubChem CID123671956
Molecular FormulaC23H20F2N2O3
Molecular Weight410.42 g/mol
Exact Mass410.14
IUPAC NameN-[2-ethyl-4-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)phenyl]-3,5-difluoropyridine-4-carboxamide
SMILESCCc1cc(-c2cc3c(cc2C)OCCO3)ccc1NC(=O)c1c(F)cncc1F
InChIInChI=1S/C23H20F2N2O3/c1-3-14-9-15(16-10-21-20(8-13(16)2)29-6-7-30-21)4-5-19(14)27-23(28)22-17(24)11-26-12-18(22)25/h4-5,8-12H,3,6-7H2,1-2H3,(H,27,28)
InChIKeyJOQMPXJUODHDBY-UHFFFAOYSA-N
XLogP4.92
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.42
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-ethyl-4-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)phenyl]-3,5-difluoropyridine-4-carboxamide 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-ethyl-4-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)phenyl]-3,5-difluoropyridine-4-carboxamide?
The IUPAC name of N-[2-ethyl-4-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)phenyl]-3,5-difluoropyridine-4-carboxamide (CID 123671956) is N-[2-ethyl-4-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)phenyl]-3,5-difluoropyridine-4-carboxamide.
What is the SMILES notation for N-[2-ethyl-4-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)phenyl]-3,5-difluoropyridine-4-carboxamide?
The canonical SMILES for N-[2-ethyl-4-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)phenyl]-3,5-difluoropyridine-4-carboxamide is CCc1cc(-c2cc3c(cc2C)OCCO3)ccc1NC(=O)c1c(F)cncc1F.
What is the InChIKey of N-[2-ethyl-4-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)phenyl]-3,5-difluoropyridine-4-carboxamide?
The InChIKey is JOQMPXJUODHDBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F2N2O3/c1-3-14-9-15(16-10-21-20(8-13(16)2)29-6-7-30-21)4-5-19(14)27-23(28)22-17(24)11-26-12-18(22)25/h4-5,8-12H,3,6-7H2,1-2H3,(H,27,28).
What are the key properties of N-[2-ethyl-4-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)phenyl]-3,5-difluoropyridine-4-carboxamide?
N-[2-ethyl-4-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)phenyl]-3,5-difluoropyridine-4-carboxamide has a molecular weight of 410.42 g/mol, XLogP of 4.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-ethyl-4-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)phenyl]-3,5-difluoropyridine-4-carboxamide is sourced from PubChem (CID 123671956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).