2-N-(1,3-benzodioxol-5-yl)-6-N-(2-methoxyphenyl)pyridine-2,6-dicarboxamide

C21H17N3O5 — CID 109100925

IUPAC2-N-(1,3-benzodioxol-5-yl)-6-N-(2-methoxyphenyl)pyridine-2,6-dicarboxamide
SMILESCOc1ccccc1NC(=O)c1cccc(C(=O)Nc2ccc3c(c2)OCO3)n1
InChIInChI=1S/C21H17N3O5/c1-27-17-8-3-2-5-14(17)24-21(26)16-7-4-6-15(23-16)20(25)22-13-9-10-18-19(11-13)29-12-28-18/h2-11H,12H2,1H3,(H,22,25)(H,24,26)
InChIKeyYMDOLFMBPNPWNZ-UHFFFAOYSA-N
MW391.38 g/mol
LogP3.32
Rot. Bonds5

About 2-N-(1,3-benzodioxol-5-yl)-6-N-(2-methoxyphenyl)pyridine-2,6-dicarboxamide

2-N-(1,3-benzodioxol-5-yl)-6-N-(2-methoxyphenyl)pyridine-2,6-dicarboxamide (PubChem CID 109100925) has the molecular formula C21H17N3O5 and a molecular weight of 391.38 g/mol. Its IUPAC name is 2-N-(1,3-benzodioxol-5-yl)-6-N-(2-methoxyphenyl)pyridine-2,6-dicarboxamide.

Molecular Properties

Compound Name2-N-(1,3-benzodioxol-5-yl)-6-N-(2-methoxyphenyl)pyridine-2,6-dicarboxamide
PubChem CID109100925
Molecular FormulaC21H17N3O5
Molecular Weight391.38 g/mol
Exact Mass391.12
IUPAC Name2-N-(1,3-benzodioxol-5-yl)-6-N-(2-methoxyphenyl)pyridine-2,6-dicarboxamide
SMILESCOc1ccccc1NC(=O)c1cccc(C(=O)Nc2ccc3c(c2)OCO3)n1
InChIInChI=1S/C21H17N3O5/c1-27-17-8-3-2-5-14(17)24-21(26)16-7-4-6-15(23-16)20(25)22-13-9-10-18-19(11-13)29-12-28-18/h2-11H,12H2,1H3,(H,22,25)(H,24,26)
InChIKeyYMDOLFMBPNPWNZ-UHFFFAOYSA-N
XLogP3.32
TPSA98.78 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.38
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-N-(1,3-benzodioxol-5-yl)-6-N-(2-chlorophenyl)pyridine-2,6-dicarboxamide
CID 109100819
N-(1,3-benzodioxol-5-yl)-6-(2-methoxyanilino)pyridazine-3-carboxamide
CID 109129169
6-N-(2-methoxyphenyl)-2-N-(4-methylphenyl)pyridine-2,6-dicarboxamide
CID 109100195
1-N-(1,3-benzodioxol-5-yl)-4-N-(2-methoxyphenyl)cyclohexane-1,4-dicarboxamide
CID 109151021
5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-(2-methoxyphenyl)pyridine-2-carboxamide
CID 109199702
2-N-(4-acetylphenyl)-6-N-(2-methoxyphenyl)pyridine-2,6-dicarboxamide
CID 109100922
2-N-(1,3-benzodioxol-5-yl)-6-N-(3,4-difluorophenyl)pyridine-2,6-dicarboxamide
CID 109101072
N-(1,3-benzodioxol-5-yl)-2-(5-chloro-2-methoxyanilino)pyrimidine-4-carboxamide
CID 109317459
2-N-(1,3-benzodioxol-5-yl)-6-N-(2,6-difluorophenyl)pyridine-2,6-dicarboxamide
CID 109101071
N-(1,3-benzodioxol-5-yl)-5-(4-methoxyanilino)pyridine-2-carboxamide
CID 109199937
6-N-(1,3-benzodioxol-5-yl)-2-N-[(2-fluorophenyl)methyl]pyridine-2,6-dicarboxamide
CID 109097797
N-(1,3-benzodioxol-5-yl)-5-(2-propan-2-yloxyanilino)pyrazine-2-carboxamide
CID 109293849

Frequently Asked Questions

What is the IUPAC name of 2-N-(1,3-benzodioxol-5-yl)-6-N-(2-methoxyphenyl)pyridine-2,6-dicarboxamide?
The IUPAC name of 2-N-(1,3-benzodioxol-5-yl)-6-N-(2-methoxyphenyl)pyridine-2,6-dicarboxamide (CID 109100925) is 2-N-(1,3-benzodioxol-5-yl)-6-N-(2-methoxyphenyl)pyridine-2,6-dicarboxamide.
What is the SMILES notation for 2-N-(1,3-benzodioxol-5-yl)-6-N-(2-methoxyphenyl)pyridine-2,6-dicarboxamide?
The canonical SMILES for 2-N-(1,3-benzodioxol-5-yl)-6-N-(2-methoxyphenyl)pyridine-2,6-dicarboxamide is COc1ccccc1NC(=O)c1cccc(C(=O)Nc2ccc3c(c2)OCO3)n1.
What is the InChIKey of 2-N-(1,3-benzodioxol-5-yl)-6-N-(2-methoxyphenyl)pyridine-2,6-dicarboxamide?
The InChIKey is YMDOLFMBPNPWNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O5/c1-27-17-8-3-2-5-14(17)24-21(26)16-7-4-6-15(23-16)20(25)22-13-9-10-18-19(11-13)29-12-28-18/h2-11H,12H2,1H3,(H,22,25)(H,24,26).
What are the key properties of 2-N-(1,3-benzodioxol-5-yl)-6-N-(2-methoxyphenyl)pyridine-2,6-dicarboxamide?
2-N-(1,3-benzodioxol-5-yl)-6-N-(2-methoxyphenyl)pyridine-2,6-dicarboxamide has a molecular weight of 391.38 g/mol, XLogP of 3.32, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(1,3-benzodioxol-5-yl)-6-N-(2-methoxyphenyl)pyridine-2,6-dicarboxamide is sourced from PubChem (CID 109100925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).