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

C21H19N3O3 — CID 109187949

IUPACN-benzyl-5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridine-2-carboxamide
SMILESO=C(NCc1ccccc1)c1ccc(Nc2ccc3c(c2)OCCO3)cn1
InChIInChI=1S/C21H19N3O3/c25-21(23-13-15-4-2-1-3-5-15)18-8-6-17(14-22-18)24-16-7-9-19-20(12-16)27-11-10-26-19/h1-9,12,14,24H,10-11,13H2,(H,23,25)
InChIKeyVIXLEMTYGPTKNW-UHFFFAOYSA-N
MW361.40 g/mol
LogP3.53
Rot. Bonds5

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

N-benzyl-5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridine-2-carboxamide (PubChem CID 109187949) has the molecular formula C21H19N3O3 and a molecular weight of 361.40 g/mol. Its IUPAC name is N-benzyl-5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridine-2-carboxamide
PubChem CID109187949
Molecular FormulaC21H19N3O3
Molecular Weight361.40 g/mol
Exact Mass361.14
IUPAC NameN-benzyl-5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridine-2-carboxamide
SMILESO=C(NCc1ccccc1)c1ccc(Nc2ccc3c(c2)OCCO3)cn1
InChIInChI=1S/C21H19N3O3/c25-21(23-13-15-4-2-1-3-5-15)18-8-6-17(14-22-18)24-16-7-9-19-20(12-16)27-11-10-26-19/h1-9,12,14,24H,10-11,13H2,(H,23,25)
InChIKeyVIXLEMTYGPTKNW-UHFFFAOYSA-N
XLogP3.53
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-(2-phenylethyl)pyridine-2-carboxamide
CID 109191832
5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-(3-phenylpropyl)pyridine-2-carboxamide
CID 109194885
N-benzyl-6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyrimidine-4-carboxamide
CID 109346748
5-anilino-N-benzylpyridine-2-carboxamide
CID 109187879
5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N,N-diethylpyridine-2-carboxamide
CID 109194689
5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-(2-methoxyphenyl)pyridine-2-carboxamide
CID 109199702
2-(1,3-benzodioxol-5-ylamino)-N-benzylpyrimidine-5-carboxamide
CID 109255345
N-benzyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 718621
5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-(4-methoxyphenyl)pyridine-2-carboxamide
CID 109199892
5-(1,3-benzodioxol-5-ylamino)-N-(2-methylpropyl)pyridine-2-carboxamide
CID 109181171
N-(2,4-difluorophenyl)-5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridine-2-carboxamide
CID 109200752
N-[(4-chlorophenyl)methyl]-6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridine-3-carboxamide
CID 109157029

Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridine-2-carboxamide?
The IUPAC name of N-benzyl-5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridine-2-carboxamide (CID 109187949) is N-benzyl-5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-benzyl-5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridine-2-carboxamide?
The canonical SMILES for N-benzyl-5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridine-2-carboxamide is O=C(NCc1ccccc1)c1ccc(Nc2ccc3c(c2)OCCO3)cn1.
What is the InChIKey of N-benzyl-5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridine-2-carboxamide?
The InChIKey is VIXLEMTYGPTKNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O3/c25-21(23-13-15-4-2-1-3-5-15)18-8-6-17(14-22-18)24-16-7-9-19-20(12-16)27-11-10-26-19/h1-9,12,14,24H,10-11,13H2,(H,23,25).
What are the key properties of N-benzyl-5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridine-2-carboxamide?
N-benzyl-5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridine-2-carboxamide has a molecular weight of 361.40 g/mol, XLogP of 3.53, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridine-2-carboxamide is sourced from PubChem (CID 109187949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).