2-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-N-(2-methylphenyl)pyridine-2,4-dicarboxamide

C22H19N3O4 — CID 109091039

IUPAC2-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-N-(2-methylphenyl)pyridine-2,4-dicarboxamide
SMILESCc1ccccc1NC(=O)c1ccnc(C(=O)Nc2ccc3c(c2)OCCO3)c1
InChIInChI=1S/C22H19N3O4/c1-14-4-2-3-5-17(14)25-21(26)15-8-9-23-18(12-15)22(27)24-16-6-7-19-20(13-16)29-11-10-28-19/h2-9,12-13H,10-11H2,1H3,(H,24,27)(H,25,26)
InChIKeyXZDXGEBUBKGYIN-UHFFFAOYSA-N
MW389.41 g/mol
LogP3.67
Rot. Bonds4

About 2-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-N-(2-methylphenyl)pyridine-2,4-dicarboxamide

2-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-N-(2-methylphenyl)pyridine-2,4-dicarboxamide (PubChem CID 109091039) has the molecular formula C22H19N3O4 and a molecular weight of 389.41 g/mol. Its IUPAC name is 2-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-N-(2-methylphenyl)pyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name2-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-N-(2-methylphenyl)pyridine-2,4-dicarboxamide
PubChem CID109091039
Molecular FormulaC22H19N3O4
Molecular Weight389.41 g/mol
Exact Mass389.14
IUPAC Name2-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-N-(2-methylphenyl)pyridine-2,4-dicarboxamide
SMILESCc1ccccc1NC(=O)c1ccnc(C(=O)Nc2ccc3c(c2)OCCO3)c1
InChIInChI=1S/C22H19N3O4/c1-14-4-2-3-5-17(14)25-21(26)15-8-9-23-18(12-15)22(27)24-16-6-7-19-20(13-16)29-11-10-28-19/h2-9,12-13H,10-11H2,1H3,(H,24,27)(H,25,26)
InChIKeyXZDXGEBUBKGYIN-UHFFFAOYSA-N
XLogP3.67
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.41
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-N-(4-methylphenyl)pyridine-2,4-dicarboxamide
CID 109091385
1-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-N-(2-methylphenyl)benzene-1,4-dicarboxamide
CID 109049332
2-N-(3-chloro-4-fluorophenyl)-4-N-(2-methylphenyl)pyridine-2,4-dicarboxamide
CID 109091011
2-N-(3-methoxyphenyl)-4-N-(2-methylphenyl)pyridine-2,4-dicarboxamide
CID 109091016
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3,4-dimethylanilino)pyridine-2-carboxamide
CID 109219918
2-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-4-carboxamide
CID 103751678
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(2-methylanilino)pyridine-3-carboxamide
CID 109241801
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(4-methylpiperazine-1-carbonyl)pyridine-2-carboxamide
CID 109084254
2-N-(1,3-benzodioxol-5-yl)-4-N-(4-chlorophenyl)pyridine-2,4-dicarboxamide
CID 109092867
4-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-N-(3-methoxypropyl)pyridine-2,4-dicarboxamide
CID 109082770
4-N-(2-methylphenyl)-2-N-(2,4,6-trimethylphenyl)pyridine-2,4-dicarboxamide
CID 109090998
4-N-(1,3-benzodioxol-5-yl)-2-N-(3-chlorophenyl)pyridine-2,4-dicarboxamide
CID 109092846

Frequently Asked Questions

What is the IUPAC name of 2-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-N-(2-methylphenyl)pyridine-2,4-dicarboxamide?
The IUPAC name of 2-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-N-(2-methylphenyl)pyridine-2,4-dicarboxamide (CID 109091039) is 2-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-N-(2-methylphenyl)pyridine-2,4-dicarboxamide.
What is the SMILES notation for 2-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-N-(2-methylphenyl)pyridine-2,4-dicarboxamide?
The canonical SMILES for 2-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-N-(2-methylphenyl)pyridine-2,4-dicarboxamide is Cc1ccccc1NC(=O)c1ccnc(C(=O)Nc2ccc3c(c2)OCCO3)c1.
What is the InChIKey of 2-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-N-(2-methylphenyl)pyridine-2,4-dicarboxamide?
The InChIKey is XZDXGEBUBKGYIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O4/c1-14-4-2-3-5-17(14)25-21(26)15-8-9-23-18(12-15)22(27)24-16-6-7-19-20(13-16)29-11-10-28-19/h2-9,12-13H,10-11H2,1H3,(H,24,27)(H,25,26).
What are the key properties of 2-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-N-(2-methylphenyl)pyridine-2,4-dicarboxamide?
2-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-N-(2-methylphenyl)pyridine-2,4-dicarboxamide has a molecular weight of 389.41 g/mol, XLogP of 3.67, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-N-(2-methylphenyl)pyridine-2,4-dicarboxamide is sourced from PubChem (CID 109091039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).