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

C21H19N3O4 — CID 109199892

IUPAC5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-(4-methoxyphenyl)pyridine-2-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc(Nc3ccc4c(c3)OCCO4)cn2)cc1
InChIInChI=1S/C21H19N3O4/c1-26-17-6-2-14(3-7-17)24-21(25)18-8-4-16(13-22-18)23-15-5-9-19-20(12-15)28-11-10-27-19/h2-9,12-13,23H,10-11H2,1H3,(H,24,25)
InChIKeyRWTZRAYGEPAUTC-UHFFFAOYSA-N
MW377.40 g/mol
LogP3.86
Rot. Bonds5

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

5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-(4-methoxyphenyl)pyridine-2-carboxamide (PubChem CID 109199892) has the molecular formula C21H19N3O4 and a molecular weight of 377.40 g/mol. Its IUPAC name is 5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-(4-methoxyphenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-(4-methoxyphenyl)pyridine-2-carboxamide
PubChem CID109199892
Molecular FormulaC21H19N3O4
Molecular Weight377.40 g/mol
Exact Mass377.14
IUPAC Name5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-(4-methoxyphenyl)pyridine-2-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc(Nc3ccc4c(c3)OCCO4)cn2)cc1
InChIInChI=1S/C21H19N3O4/c1-26-17-6-2-14(3-7-17)24-21(25)18-8-4-16(13-22-18)23-15-5-9-19-20(12-15)28-11-10-27-19/h2-9,12-13,23H,10-11H2,1H3,(H,24,25)
InChIKeyRWTZRAYGEPAUTC-UHFFFAOYSA-N
XLogP3.86
TPSA81.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.40
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,3-benzodioxol-5-yl)-5-(4-methoxyanilino)pyridine-2-carboxamide
CID 109199937
5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-(2-methoxyphenyl)pyridine-2-carboxamide
CID 109199702
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)-5-(4-methoxyanilino)pyridine-3-carboxamide
CID 109245363
5-(3-chloro-4-methoxyanilino)-N-(4-methoxyphenyl)pyridine-2-carboxamide
CID 109199601
N-[5-(1,3-benzodioxol-5-ylamino)-2-pyridinyl]-4-methoxybenzamide
CID 113036150
N-(2,4-difluorophenyl)-5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridine-2-carboxamide
CID 109200752
N-(4-tert-butylphenyl)-5-(4-methoxyanilino)pyridine-2-carboxamide
CID 109198795
N-(3,5-dimethylphenyl)-5-(4-methoxyanilino)pyridine-2-carboxamide
CID 109198157
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(2,5-dimethylanilino)pyridine-2-carboxamide
CID 109198075
2-N,5-N-bis(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-2,5-dicarboxamide
CID 2931160
5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N,N-diethylpyridine-2-carboxamide
CID 109194689

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-(4-methoxyphenyl)pyridine-2-carboxamide?
The IUPAC name of 5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-(4-methoxyphenyl)pyridine-2-carboxamide (CID 109199892) is 5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-(4-methoxyphenyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-(4-methoxyphenyl)pyridine-2-carboxamide?
The canonical SMILES for 5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-(4-methoxyphenyl)pyridine-2-carboxamide is COc1ccc(NC(=O)c2ccc(Nc3ccc4c(c3)OCCO4)cn2)cc1.
What is the InChIKey of 5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-(4-methoxyphenyl)pyridine-2-carboxamide?
The InChIKey is RWTZRAYGEPAUTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O4/c1-26-17-6-2-14(3-7-17)24-21(25)18-8-4-16(13-22-18)23-15-5-9-19-20(12-15)28-11-10-27-19/h2-9,12-13,23H,10-11H2,1H3,(H,24,25).
What are the key properties of 5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-(4-methoxyphenyl)pyridine-2-carboxamide?
5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-(4-methoxyphenyl)pyridine-2-carboxamide has a molecular weight of 377.40 g/mol, XLogP of 3.86, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-(4-methoxyphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 109199892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).