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

C22H21N3O3 — CID 109176631

IUPAC2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-(2,5-dimethylphenyl)pyridine-4-carboxamide
SMILESCc1ccc(C)c(NC(=O)c2ccnc(Nc3ccc4c(c3)OCCO4)c2)c1
InChIInChI=1S/C22H21N3O3/c1-14-3-4-15(2)18(11-14)25-22(26)16-7-8-23-21(12-16)24-17-5-6-19-20(13-17)28-10-9-27-19/h3-8,11-13H,9-10H2,1-2H3,(H,23,24)(H,25,26)
InChIKeyBKXLGRMHWLYQEZ-UHFFFAOYSA-N
MW375.43 g/mol
LogP4.47
Rot. Bonds4

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

2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-(2,5-dimethylphenyl)pyridine-4-carboxamide (PubChem CID 109176631) has the molecular formula C22H21N3O3 and a molecular weight of 375.43 g/mol. Its IUPAC name is 2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-(2,5-dimethylphenyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-(2,5-dimethylphenyl)pyridine-4-carboxamide
PubChem CID109176631
Molecular FormulaC22H21N3O3
Molecular Weight375.43 g/mol
Exact Mass375.16
IUPAC Name2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-(2,5-dimethylphenyl)pyridine-4-carboxamide
SMILESCc1ccc(C)c(NC(=O)c2ccnc(Nc3ccc4c(c3)OCCO4)c2)c1
InChIInChI=1S/C22H21N3O3/c1-14-3-4-15(2)18(11-14)25-22(26)16-7-8-23-21(12-16)24-17-5-6-19-20(13-17)28-10-9-27-19/h3-8,11-13H,9-10H2,1-2H3,(H,23,24)(H,25,26)
InChIKeyBKXLGRMHWLYQEZ-UHFFFAOYSA-N
XLogP4.47
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 54.47
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
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
2-(3,4-difluoroanilino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-4-carboxamide
CID 109178842
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(2,5-dimethylanilino)pyridine-3-carboxamide
CID 109162603
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-ethylanilino)pyridine-4-carboxamide
CID 109176917
2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-(3-methoxypropyl)pyridine-4-carboxamide
CID 109167122
2-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-N-(2-methylphenyl)pyridine-2,4-dicarboxamide
CID 109091039
4-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-N-(4-methylphenyl)pyridine-2,4-dicarboxamide
CID 109091385
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(2,5-dimethylanilino)pyridine-2-carboxamide
CID 109198075
N-[6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-3-pyridinyl]-4-methylbenzamide
CID 113021649
N-(1,3-benzodioxol-5-yl)-6-(2,5-dimethylanilino)pyridine-3-carboxamide
CID 109162602

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-(2,5-dimethylphenyl)pyridine-4-carboxamide?
The IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-(2,5-dimethylphenyl)pyridine-4-carboxamide (CID 109176631) is 2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-(2,5-dimethylphenyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-(2,5-dimethylphenyl)pyridine-4-carboxamide?
The canonical SMILES for 2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-(2,5-dimethylphenyl)pyridine-4-carboxamide is Cc1ccc(C)c(NC(=O)c2ccnc(Nc3ccc4c(c3)OCCO4)c2)c1.
What is the InChIKey of 2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-(2,5-dimethylphenyl)pyridine-4-carboxamide?
The InChIKey is BKXLGRMHWLYQEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O3/c1-14-3-4-15(2)18(11-14)25-22(26)16-7-8-23-21(12-16)24-17-5-6-19-20(13-17)28-10-9-27-19/h3-8,11-13H,9-10H2,1-2H3,(H,23,24)(H,25,26).
What are the key properties of 2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-(2,5-dimethylphenyl)pyridine-4-carboxamide?
2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-(2,5-dimethylphenyl)pyridine-4-carboxamide has a molecular weight of 375.43 g/mol, XLogP of 4.47, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-(2,5-dimethylphenyl)pyridine-4-carboxamide is sourced from PubChem (CID 109176631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).