2-(3,4-difluoroanilino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-4-carboxamide

C20H15F2N3O3 — CID 109178842

IUPAC2-(3,4-difluoroanilino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-4-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCCO2)c1ccnc(Nc2ccc(F)c(F)c2)c1
InChIInChI=1S/C20H15F2N3O3/c21-15-3-1-13(10-16(15)22)24-19-9-12(5-6-23-19)20(26)25-14-2-4-17-18(11-14)28-8-7-27-17/h1-6,9-11H,7-8H2,(H,23,24)(H,25,26)
InChIKeyJLUMYLOJJFSMDZ-UHFFFAOYSA-N
MW383.35 g/mol
LogP4.13
Rot. Bonds4

About 2-(3,4-difluoroanilino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-4-carboxamide

2-(3,4-difluoroanilino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-4-carboxamide (PubChem CID 109178842) has the molecular formula C20H15F2N3O3 and a molecular weight of 383.35 g/mol. Its IUPAC name is 2-(3,4-difluoroanilino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(3,4-difluoroanilino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-4-carboxamide
PubChem CID109178842
Molecular FormulaC20H15F2N3O3
Molecular Weight383.35 g/mol
Exact Mass383.11
IUPAC Name2-(3,4-difluoroanilino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-4-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCCO2)c1ccnc(Nc2ccc(F)c(F)c2)c1
InChIInChI=1S/C20H15F2N3O3/c21-15-3-1-13(10-16(15)22)24-19-9-12(5-6-23-19)20(26)25-14-2-4-17-18(11-14)28-8-7-27-17/h1-6,9-11H,7-8H2,(H,23,24)(H,25,26)
InChIKeyJLUMYLOJJFSMDZ-UHFFFAOYSA-N
XLogP4.13
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.35
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-(4-methoxyphenyl)pyridine-4-carboxamide
CID 46283333
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-ethylanilino)pyridine-4-carboxamide
CID 109176917
6-(3,4-difluoroanilino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridazine-3-carboxamide
CID 109130191
N-(1,3-benzodioxol-5-yl)-2-(2-fluoroanilino)pyridine-4-carboxamide
CID 109177269
2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-(2,5-dimethylphenyl)pyridine-4-carboxamide
CID 109176631
2-(1,3-benzodioxol-5-ylamino)-N-(3-chlorophenyl)pyridine-4-carboxamide
CID 109177450
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(2-fluorophenyl)methylamino]pyridine-4-carboxamide
CID 109170529
2-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-4-carboxamide
CID 103751678
N-(3,4-difluorophenyl)-2-(3,4-dimethoxyanilino)pyridine-4-carboxamide
CID 109178406
2-(1,3-benzodioxol-5-ylamino)-N-(3,5-dimethylphenyl)pyridine-4-carboxamide
CID 109176718
2-(1,3-benzodioxol-5-ylamino)-N-(4-chloro-2-methylphenyl)pyridine-4-carboxamide
CID 109177657
N-(3-chloro-4-fluorophenyl)-6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridine-3-carboxamide
CID 109163738

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluoroanilino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-4-carboxamide?
The IUPAC name of 2-(3,4-difluoroanilino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-4-carboxamide (CID 109178842) is 2-(3,4-difluoroanilino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-4-carboxamide.
What is the SMILES notation for 2-(3,4-difluoroanilino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-4-carboxamide?
The canonical SMILES for 2-(3,4-difluoroanilino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-4-carboxamide is O=C(Nc1ccc2c(c1)OCCO2)c1ccnc(Nc2ccc(F)c(F)c2)c1.
What is the InChIKey of 2-(3,4-difluoroanilino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-4-carboxamide?
The InChIKey is JLUMYLOJJFSMDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F2N3O3/c21-15-3-1-13(10-16(15)22)24-19-9-12(5-6-23-19)20(26)25-14-2-4-17-18(11-14)28-8-7-27-17/h1-6,9-11H,7-8H2,(H,23,24)(H,25,26).
What are the key properties of 2-(3,4-difluoroanilino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-4-carboxamide?
2-(3,4-difluoroanilino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-4-carboxamide has a molecular weight of 383.35 g/mol, XLogP of 4.13, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluoroanilino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-4-carboxamide is sourced from PubChem (CID 109178842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).