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

C21H19N3O3 — CID 109241801

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(2-methylanilino)pyridine-3-carboxamide
SMILESCc1ccccc1Nc1cncc(C(=O)Nc2ccc3c(c2)OCCO3)c1
InChIInChI=1S/C21H19N3O3/c1-14-4-2-3-5-18(14)23-17-10-15(12-22-13-17)21(25)24-16-6-7-19-20(11-16)27-9-8-26-19/h2-7,10-13,23H,8-9H2,1H3,(H,24,25)
InChIKeyBGXBRZINCOHFEO-UHFFFAOYSA-N
MW361.40 g/mol
LogP4.16
Rot. Bonds4

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

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(2-methylanilino)pyridine-3-carboxamide (PubChem CID 109241801) has the molecular formula C21H19N3O3 and a molecular weight of 361.40 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(2-methylanilino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(2-methylanilino)pyridine-3-carboxamide
PubChem CID109241801
Molecular FormulaC21H19N3O3
Molecular Weight361.40 g/mol
Exact Mass361.14
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(2-methylanilino)pyridine-3-carboxamide
SMILESCc1ccccc1Nc1cncc(C(=O)Nc2ccc3c(c2)OCCO3)c1
InChIInChI=1S/C21H19N3O3/c1-14-4-2-3-5-18(14)23-17-10-15(12-22-13-17)21(25)24-16-6-7-19-20(11-16)27-9-8-26-19/h2-7,10-13,23H,8-9H2,1H3,(H,24,25)
InChIKeyBGXBRZINCOHFEO-UHFFFAOYSA-N
XLogP4.16
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4-chloro-2-methylanilino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-3-carboxamide
CID 109244837
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(2-ethyl-6-methylanilino)pyridine-3-carboxamide
CID 109243730
1-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-N-(2-methylphenyl)benzene-1,4-dicarboxamide
CID 109049332
5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-(3,5-dimethylphenyl)pyridine-3-carboxamide
CID 109243048
5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-(2-propan-2-ylphenyl)pyridine-3-carboxamide
CID 109243767
N-(1,3-benzodioxol-5-yl)-5-(2-propan-2-ylanilino)pyridine-3-carboxamide
CID 109243805
N-(3-acetamidophenyl)-5-(2-methylanilino)pyridine-3-carboxamide
CID 109241783
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(4-methoxyanilino)pyridine-3-carboxamide
CID 109245363
5-(1,3-benzodioxol-5-ylamino)-N-(2,3-dimethylphenyl)pyridine-3-carboxamide
CID 109243265
5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-(2-ethyl-6-methylphenyl)pyridine-3-carboxamide
CID 109243700
5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-[4-(dimethylamino)phenyl]pyridine-3-carboxamide
CID 109245994
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-hydroxypyridine-3-carboxamide
CID 63864601

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(2-methylanilino)pyridine-3-carboxamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(2-methylanilino)pyridine-3-carboxamide (CID 109241801) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(2-methylanilino)pyridine-3-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(2-methylanilino)pyridine-3-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(2-methylanilino)pyridine-3-carboxamide is Cc1ccccc1Nc1cncc(C(=O)Nc2ccc3c(c2)OCCO3)c1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(2-methylanilino)pyridine-3-carboxamide?
The InChIKey is BGXBRZINCOHFEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O3/c1-14-4-2-3-5-18(14)23-17-10-15(12-22-13-17)21(25)24-16-6-7-19-20(11-16)27-9-8-26-19/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-(2-methylanilino)pyridine-3-carboxamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(2-methylanilino)pyridine-3-carboxamide has a molecular weight of 361.40 g/mol, XLogP of 4.16, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(2-methylanilino)pyridine-3-carboxamide is sourced from PubChem (CID 109241801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).