N-(2,4-difluorophenyl)-5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridine-2-carboxamide

C20H15F2N3O3 — CID 109200752

IUPACN-(2,4-difluorophenyl)-5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridine-2-carboxamide
SMILESO=C(Nc1ccc(F)cc1F)c1ccc(Nc2ccc3c(c2)OCCO3)cn1
InChIInChI=1S/C20H15F2N3O3/c21-12-1-4-16(15(22)9-12)25-20(26)17-5-2-14(11-23-17)24-13-3-6-18-19(10-13)28-8-7-27-18/h1-6,9-11,24H,7-8H2,(H,25,26)
InChIKeyRUYKJWLJNKPBHF-UHFFFAOYSA-N
MW383.35 g/mol
LogP4.13
Rot. Bonds4

About N-(2,4-difluorophenyl)-5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridine-2-carboxamide

N-(2,4-difluorophenyl)-5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridine-2-carboxamide (PubChem CID 109200752) has the molecular formula C20H15F2N3O3 and a molecular weight of 383.35 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridine-2-carboxamide
PubChem CID109200752
Molecular FormulaC20H15F2N3O3
Molecular Weight383.35 g/mol
Exact Mass383.11
IUPAC NameN-(2,4-difluorophenyl)-5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridine-2-carboxamide
SMILESO=C(Nc1ccc(F)cc1F)c1ccc(Nc2ccc3c(c2)OCCO3)cn1
InChIInChI=1S/C20H15F2N3O3/c21-12-1-4-16(15(22)9-12)25-20(26)17-5-2-14(11-23-17)24-13-3-6-18-19(10-13)28-8-7-27-18/h1-6,9-11,24H,7-8H2,(H,25,26)
InChIKeyRUYKJWLJNKPBHF-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

N-(2,4-difluorophenyl)-5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridine-3-carboxamide
CID 109246197
5-anilino-N-(2,4-difluorophenyl)pyridine-2-carboxamide
CID 109197129
5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-(2-methoxyphenyl)pyridine-2-carboxamide
CID 109199702
5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-(4-methoxyphenyl)pyridine-2-carboxamide
CID 109199892
5-(2,4-difluoroanilino)-N-(4-fluorophenyl)pyridine-2-carboxamide
CID 109198992
N-(2,4-difluorophenyl)-5-(4-pyrrolidin-1-ylanilino)pyridine-2-carboxamide
CID 109200605
N-(2,4-difluorophenyl)-5-(2,4-dimethylanilino)pyridine-2-carboxamide
CID 109198012
N-benzyl-5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridine-2-carboxamide
CID 109187949
N-(2,4-difluorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)triazole-4-carboxamide
CID 39088966
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(2,5-dimethylanilino)pyridine-2-carboxamide
CID 109198075
5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N,N-diethylpyridine-2-carboxamide
CID 109194689
2-N,5-N-bis(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-2,5-dicarboxamide
CID 2931160

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridine-2-carboxamide?
The IUPAC name of N-(2,4-difluorophenyl)-5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridine-2-carboxamide (CID 109200752) is N-(2,4-difluorophenyl)-5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridine-2-carboxamide?
The canonical SMILES for N-(2,4-difluorophenyl)-5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridine-2-carboxamide is O=C(Nc1ccc(F)cc1F)c1ccc(Nc2ccc3c(c2)OCCO3)cn1.
What is the InChIKey of N-(2,4-difluorophenyl)-5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridine-2-carboxamide?
The InChIKey is RUYKJWLJNKPBHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F2N3O3/c21-12-1-4-16(15(22)9-12)25-20(26)17-5-2-14(11-23-17)24-13-3-6-18-19(10-13)28-8-7-27-18/h1-6,9-11,24H,7-8H2,(H,25,26).
What are the key properties of N-(2,4-difluorophenyl)-5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridine-2-carboxamide?
N-(2,4-difluorophenyl)-5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridine-2-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 N-(2,4-difluorophenyl)-5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridine-2-carboxamide is sourced from PubChem (CID 109200752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).