N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(4-methoxyanilino)pyridine-3-carboxamide

C21H19N3O4 — CID 109245363

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(4-methoxyanilino)pyridine-3-carboxamide
SMILESCOc1ccc(Nc2cncc(C(=O)Nc3ccc4c(c3)OCCO4)c2)cc1
InChIInChI=1S/C21H19N3O4/c1-26-18-5-2-15(3-6-18)23-17-10-14(12-22-13-17)21(25)24-16-4-7-19-20(11-16)28-9-8-27-19/h2-7,10-13,23H,8-9H2,1H3,(H,24,25)
InChIKeyYPKOXWFYOANDCU-UHFFFAOYSA-N
MW377.40 g/mol
LogP3.86
Rot. Bonds5

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

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(4-methoxyanilino)pyridine-3-carboxamide (PubChem CID 109245363) has the molecular formula C21H19N3O4 and a molecular weight of 377.40 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(4-methoxyanilino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(4-methoxyanilino)pyridine-3-carboxamide
PubChem CID109245363
Molecular FormulaC21H19N3O4
Molecular Weight377.40 g/mol
Exact Mass377.14
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(4-methoxyanilino)pyridine-3-carboxamide
SMILESCOc1ccc(Nc2cncc(C(=O)Nc3ccc4c(c3)OCCO4)c2)cc1
InChIInChI=1S/C21H19N3O4/c1-26-18-5-2-15(3-6-18)23-17-10-14(12-22-13-17)21(25)24-16-4-7-19-20(11-16)28-9-8-27-19/h2-7,10-13,23H,8-9H2,1H3,(H,24,25)
InChIKeyYPKOXWFYOANDCU-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-(3-methoxyanilino)pyridine-3-carboxamide
CID 109245269
methyl 4-[[5-(1,3-benzodioxol-5-ylcarbamoyl)-3-pyridinyl]amino]benzoate
CID 109245974
5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-(3,5-dimethylphenyl)pyridine-3-carboxamide
CID 109243048
N-(1,3-benzodioxol-5-yl)-5-(2,4-dimethoxyanilino)pyridine-3-carboxamide
CID 109245661
5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-[4-(dimethylamino)phenyl]pyridine-3-carboxamide
CID 109245994
N-(4-methoxyphenyl)-5-(4-methylanilino)pyridine-3-carboxamide
CID 109242133
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(2-methylanilino)pyridine-3-carboxamide
CID 109241801
N-(1,3-benzodioxol-5-ylmethyl)-5-(4-methoxyanilino)pyridine-3-carboxamide
CID 109234623
5-(4-chloro-2-methylanilino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-3-carboxamide
CID 109244837
5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-(4-methoxyphenyl)pyridine-2-carboxamide
CID 109199892
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-hydroxypyridine-3-carboxamide
CID 63864601
5-(4-ethoxyanilino)-N-(4-methoxyphenyl)pyridine-3-carboxamide
CID 109245293

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(4-methoxyanilino)pyridine-3-carboxamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(4-methoxyanilino)pyridine-3-carboxamide (CID 109245363) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(4-methoxyanilino)pyridine-3-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(4-methoxyanilino)pyridine-3-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(4-methoxyanilino)pyridine-3-carboxamide is COc1ccc(Nc2cncc(C(=O)Nc3ccc4c(c3)OCCO4)c2)cc1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(4-methoxyanilino)pyridine-3-carboxamide?
The InChIKey is YPKOXWFYOANDCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O4/c1-26-18-5-2-15(3-6-18)23-17-10-14(12-22-13-17)21(25)24-16-4-7-19-20(11-16)28-9-8-27-19/h2-7,10-13,23H,8-9H2,1H3,(H,24,25).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(4-methoxyanilino)pyridine-3-carboxamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(4-methoxyanilino)pyridine-3-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 N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(4-methoxyanilino)pyridine-3-carboxamide is sourced from PubChem (CID 109245363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).