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

C23H19N3O6 — CID 69355147

IUPAC3-N,5-N-bis(1,3-benzodioxol-5-ylmethyl)pyridine-3,5-dicarboxamide
SMILESO=C(NCc1ccc2c(c1)OCO2)c1cncc(C(=O)NCc2ccc3c(c2)OCO3)c1
InChIInChI=1S/C23H19N3O6/c27-22(25-8-14-1-3-18-20(5-14)31-12-29-18)16-7-17(11-24-10-16)23(28)26-9-15-2-4-19-21(6-15)32-13-30-19/h1-7,10-11H,8-9,12-13H2,(H,25,27)(H,26,28)
InChIKeyCUNCLKIWWONNQU-UHFFFAOYSA-N
MW433.42 g/mol
LogP2.40
Rot. Bonds6

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

3-N,5-N-bis(1,3-benzodioxol-5-ylmethyl)pyridine-3,5-dicarboxamide (PubChem CID 69355147) has the molecular formula C23H19N3O6 and a molecular weight of 433.42 g/mol. Its IUPAC name is 3-N,5-N-bis(1,3-benzodioxol-5-ylmethyl)pyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name3-N,5-N-bis(1,3-benzodioxol-5-ylmethyl)pyridine-3,5-dicarboxamide
PubChem CID69355147
Molecular FormulaC23H19N3O6
Molecular Weight433.42 g/mol
Exact Mass433.13
IUPAC Name3-N,5-N-bis(1,3-benzodioxol-5-ylmethyl)pyridine-3,5-dicarboxamide
SMILESO=C(NCc1ccc2c(c1)OCO2)c1cncc(C(=O)NCc2ccc3c(c2)OCO3)c1
InChIInChI=1S/C23H19N3O6/c27-22(25-8-14-1-3-18-20(5-14)31-12-29-18)16-7-17(11-24-10-16)23(28)26-9-15-2-4-19-21(6-15)32-13-30-19/h1-7,10-11H,8-9,12-13H2,(H,25,27)(H,26,28)
InChIKeyCUNCLKIWWONNQU-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

5-(1,3-benzodioxol-5-ylamino)-N-(1,3-benzodioxol-5-ylmethyl)pyridine-3-carboxamide
CID 109234631
5-N-(1,3-benzodioxol-5-ylmethyl)-3-N-(3-methoxypropyl)pyridine-3,5-dicarboxamide
CID 109103588
5-(azepane-1-carbonyl)-N-(1,3-benzodioxol-5-ylmethyl)pyridine-3-carboxamide
CID 109105830
N-(1,3-benzodioxol-5-ylmethyl)pyridine-4-carboxamide
CID 2089022
3-N-(1,3-benzodioxol-5-ylmethyl)-5-N-(3-methylphenyl)pyridine-3,5-dicarboxamide
CID 109105833
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-5-hydroxypyridine-3-carboxamide
CID 63859223
N-(1,3-benzodioxol-5-ylmethyl)-5-(4-ethylpiperazine-1-carbonyl)pyridine-3-carboxamide
CID 109104549
N-(1,3-benzodioxol-5-ylmethyl)-5-(4-methoxyphenyl)pyridine-3-carboxamide
CID 53010769
N-(1,3-benzodioxol-5-ylmethyl)-5-(3,4-dimethylanilino)pyridine-3-carboxamide
CID 109234600
N-(1,3-benzodioxol-5-ylmethyl)-4-[[4-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]methyl]benzamide
CID 171432416
N-(1,3-benzodioxol-5-ylmethyl)-5-(4-methoxyanilino)pyridine-3-carboxamide
CID 109234623
N-(1,3-benzodioxol-5-ylmethyl)-5-(pyridin-3-ylmethylamino)pyridine-3-carboxamide
CID 109234571

Frequently Asked Questions

What is the IUPAC name of 3-N,5-N-bis(1,3-benzodioxol-5-ylmethyl)pyridine-3,5-dicarboxamide?
The IUPAC name of 3-N,5-N-bis(1,3-benzodioxol-5-ylmethyl)pyridine-3,5-dicarboxamide (CID 69355147) is 3-N,5-N-bis(1,3-benzodioxol-5-ylmethyl)pyridine-3,5-dicarboxamide.
What is the SMILES notation for 3-N,5-N-bis(1,3-benzodioxol-5-ylmethyl)pyridine-3,5-dicarboxamide?
The canonical SMILES for 3-N,5-N-bis(1,3-benzodioxol-5-ylmethyl)pyridine-3,5-dicarboxamide is O=C(NCc1ccc2c(c1)OCO2)c1cncc(C(=O)NCc2ccc3c(c2)OCO3)c1.
What is the InChIKey of 3-N,5-N-bis(1,3-benzodioxol-5-ylmethyl)pyridine-3,5-dicarboxamide?
The InChIKey is CUNCLKIWWONNQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O6/c27-22(25-8-14-1-3-18-20(5-14)31-12-29-18)16-7-17(11-24-10-16)23(28)26-9-15-2-4-19-21(6-15)32-13-30-19/h1-7,10-11H,8-9,12-13H2,(H,25,27)(H,26,28).
What are the key properties of 3-N,5-N-bis(1,3-benzodioxol-5-ylmethyl)pyridine-3,5-dicarboxamide?
3-N,5-N-bis(1,3-benzodioxol-5-ylmethyl)pyridine-3,5-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 3-N,5-N-bis(1,3-benzodioxol-5-ylmethyl)pyridine-3,5-dicarboxamide is sourced from PubChem (CID 69355147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).