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

C20H15F2N3O3 — CID 109246197

IUPACN-(2,4-difluorophenyl)-5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridine-3-carboxamide
SMILESO=C(Nc1ccc(F)cc1F)c1cncc(Nc2ccc3c(c2)OCCO3)c1
InChIInChI=1S/C20H15F2N3O3/c21-13-1-3-17(16(22)8-13)25-20(26)12-7-15(11-23-10-12)24-14-2-4-18-19(9-14)28-6-5-27-18/h1-4,7-11,24H,5-6H2,(H,25,26)
InChIKeyMXUSZIDDNSMZJR-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-3-carboxamide

N-(2,4-difluorophenyl)-5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridine-3-carboxamide (PubChem CID 109246197) 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-3-carboxamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridine-3-carboxamide
PubChem CID109246197
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-3-carboxamide
SMILESO=C(Nc1ccc(F)cc1F)c1cncc(Nc2ccc3c(c2)OCCO3)c1
InChIInChI=1S/C20H15F2N3O3/c21-13-1-3-17(16(22)8-13)25-20(26)12-7-15(11-23-10-12)24-14-2-4-18-19(9-14)28-6-5-27-18/h1-4,7-11,24H,5-6H2,(H,25,26)
InChIKeyMXUSZIDDNSMZJR-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-(1,3-benzodioxol-5-yl)-5-(2,4-difluoroanilino)pyridine-3-carboxamide
CID 109246164
N-(2,4-difluorophenyl)-5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridine-2-carboxamide
CID 109200752
5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-(3,5-dimethylphenyl)pyridine-3-carboxamide
CID 109243048
N-(2,4-difluorophenyl)-5-(3,4-dimethoxyanilino)pyridine-3-carboxamide
CID 109245690
5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-(2-propan-2-ylphenyl)pyridine-3-carboxamide
CID 109243767
5-(3-chloroanilino)-N-(2,4-difluorophenyl)pyridine-3-carboxamide
CID 109244550
5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-[4-(dimethylamino)phenyl]pyridine-3-carboxamide
CID 109245994
N-(2,4-difluorophenyl)-5-(2,3,4-trifluoroanilino)pyridine-3-carboxamide
CID 109246256
5-(4-chloro-2-methylanilino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-3-carboxamide
CID 109244837
N-(2,4-difluorophenyl)-5-(4-ethoxyanilino)pyridine-3-carboxamide
CID 109245490
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(4-methoxyanilino)pyridine-3-carboxamide
CID 109245363
5-(cyclopropylamino)-N-(2,4-difluorophenyl)pyridine-3-carboxamide
CID 109223922

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridine-3-carboxamide?
The IUPAC name of N-(2,4-difluorophenyl)-5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridine-3-carboxamide (CID 109246197) is N-(2,4-difluorophenyl)-5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridine-3-carboxamide?
The canonical SMILES for N-(2,4-difluorophenyl)-5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridine-3-carboxamide is O=C(Nc1ccc(F)cc1F)c1cncc(Nc2ccc3c(c2)OCCO3)c1.
What is the InChIKey of N-(2,4-difluorophenyl)-5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridine-3-carboxamide?
The InChIKey is MXUSZIDDNSMZJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F2N3O3/c21-13-1-3-17(16(22)8-13)25-20(26)12-7-15(11-23-10-12)24-14-2-4-18-19(9-14)28-6-5-27-18/h1-4,7-11,24H,5-6H2,(H,25,26).
What are the key properties of N-(2,4-difluorophenyl)-5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridine-3-carboxamide?
N-(2,4-difluorophenyl)-5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridine-3-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-3-carboxamide is sourced from PubChem (CID 109246197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).