2-N,5-N-bis(1,3-benzodioxol-5-ylmethyl)pyridine-2,5-dicarboxamide

C23H19N3O6 — CID 1294350

IUPAC2-N,5-N-bis(1,3-benzodioxol-5-ylmethyl)pyridine-2,5-dicarboxamide
SMILESO=C(NCc1ccc2c(c1)OCO2)c1ccc(C(=O)NCc2ccc3c(c2)OCO3)nc1
InChIInChI=1S/C23H19N3O6/c27-22(25-9-14-1-5-18-20(7-14)31-12-29-18)16-3-4-17(24-11-16)23(28)26-10-15-2-6-19-21(8-15)32-13-30-19/h1-8,11H,9-10,12-13H2,(H,25,27)(H,26,28)
InChIKeyJSOXWHMLLVBEQD-UHFFFAOYSA-N
MW433.42 g/mol
LogP2.40
Rot. Bonds6

About 2-N,5-N-bis(1,3-benzodioxol-5-ylmethyl)pyridine-2,5-dicarboxamide

2-N,5-N-bis(1,3-benzodioxol-5-ylmethyl)pyridine-2,5-dicarboxamide (PubChem CID 1294350) has the molecular formula C23H19N3O6 and a molecular weight of 433.42 g/mol. Its IUPAC name is 2-N,5-N-bis(1,3-benzodioxol-5-ylmethyl)pyridine-2,5-dicarboxamide.

Molecular Properties

Compound Name2-N,5-N-bis(1,3-benzodioxol-5-ylmethyl)pyridine-2,5-dicarboxamide
PubChem CID1294350
Molecular FormulaC23H19N3O6
Molecular Weight433.42 g/mol
Exact Mass433.13
IUPAC Name2-N,5-N-bis(1,3-benzodioxol-5-ylmethyl)pyridine-2,5-dicarboxamide
SMILESO=C(NCc1ccc2c(c1)OCO2)c1ccc(C(=O)NCc2ccc3c(c2)OCO3)nc1
InChIInChI=1S/C23H19N3O6/c27-22(25-9-14-1-5-18-20(7-14)31-12-29-18)16-3-4-17(24-11-16)23(28)26-10-15-2-6-19-21(8-15)32-13-30-19/h1-8,11H,9-10,12-13H2,(H,25,27)(H,26,28)
InChIKeyJSOXWHMLLVBEQD-UHFFFAOYSA-N
XLogP2.40
TPSA108.01 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.42
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-3,4-dichlorobenzamide
CID 776037
3-N,5-N-bis(1,3-benzodioxol-5-ylmethyl)pyridine-3,5-dicarboxamide
CID 69355147
N-(1,3-benzodioxol-5-ylmethyl)-4-[[4-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]methyl]benzamide
CID 171432416
6-(1,3-benzodioxol-5-ylmethylamino)-N-[(4-fluorophenyl)methyl]pyridine-3-carboxamide
CID 109156686
N-(1,3-benzodioxol-5-ylmethyl)-6-[(2-chlorophenyl)methylamino]pyridine-3-carboxamide
CID 109156766
N-(1,3-benzodioxol-5-ylmethyl)-2-pyridin-4-ylpyrimidine-5-carboxamide
CID 72901757
N-(1,3-benzodioxol-5-ylmethyl)pyridine-4-carboxamide
CID 2089022
N-(1,3-benzodioxol-5-ylmethyl)-6-(2-phenylethylamino)pyridine-3-carboxamide
CID 109157463
N-(1,3-benzodioxol-5-ylmethyl)-6-(3-methylbutylamino)pyridine-3-carboxamide
CID 109157472
4-N-(1,3-benzodioxol-5-ylmethyl)-6-N-[(4-chlorophenyl)methyl]pyrimidine-4,6-dicarboxamide
CID 10224224
N-(1,3-benzodioxol-5-ylmethyl)-4-tert-butylbenzamide
CID 673797
N-(1,3-benzodioxol-5-ylmethyl)-2-(dipropylamino)pyrimidine-5-carboxamide
CID 109258197

Frequently Asked Questions

What is the IUPAC name of 2-N,5-N-bis(1,3-benzodioxol-5-ylmethyl)pyridine-2,5-dicarboxamide?
The IUPAC name of 2-N,5-N-bis(1,3-benzodioxol-5-ylmethyl)pyridine-2,5-dicarboxamide (CID 1294350) is 2-N,5-N-bis(1,3-benzodioxol-5-ylmethyl)pyridine-2,5-dicarboxamide.
What is the SMILES notation for 2-N,5-N-bis(1,3-benzodioxol-5-ylmethyl)pyridine-2,5-dicarboxamide?
The canonical SMILES for 2-N,5-N-bis(1,3-benzodioxol-5-ylmethyl)pyridine-2,5-dicarboxamide is O=C(NCc1ccc2c(c1)OCO2)c1ccc(C(=O)NCc2ccc3c(c2)OCO3)nc1.
What is the InChIKey of 2-N,5-N-bis(1,3-benzodioxol-5-ylmethyl)pyridine-2,5-dicarboxamide?
The InChIKey is JSOXWHMLLVBEQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O6/c27-22(25-9-14-1-5-18-20(7-14)31-12-29-18)16-3-4-17(24-11-16)23(28)26-10-15-2-6-19-21(8-15)32-13-30-19/h1-8,11H,9-10,12-13H2,(H,25,27)(H,26,28).
What are the key properties of 2-N,5-N-bis(1,3-benzodioxol-5-ylmethyl)pyridine-2,5-dicarboxamide?
2-N,5-N-bis(1,3-benzodioxol-5-ylmethyl)pyridine-2,5-dicarboxamide has a molecular weight of 433.42 g/mol, XLogP of 2.40, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,5-N-bis(1,3-benzodioxol-5-ylmethyl)pyridine-2,5-dicarboxamide is sourced from PubChem (CID 1294350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).