N-(1,3-benzodioxol-5-yl)-2-(1,3-benzodioxol-5-ylmethylamino)-5-pyridin-3-ylpyridine-3-carboxamide

C26H20N4O5 — CID 44530423

IUPACN-(1,3-benzodioxol-5-yl)-2-(1,3-benzodioxol-5-ylmethylamino)-5-pyridin-3-ylpyridine-3-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCO2)c1cc(-c2cccnc2)cnc1NCc1ccc2c(c1)OCO2
InChIInChI=1S/C26H20N4O5/c31-26(30-19-4-6-22-24(10-19)35-15-33-22)20-9-18(17-2-1-7-27-12-17)13-29-25(20)28-11-16-3-5-21-23(8-16)34-14-32-21/h1-10,12-13H,11,14-15H2,(H,28,29)(H,30,31)
InChIKeyZLCKPKCCFMYMSV-UHFFFAOYSA-N
MW468.47 g/mol
LogP4.47
Rot. Bonds6

About N-(1,3-benzodioxol-5-yl)-2-(1,3-benzodioxol-5-ylmethylamino)-5-pyridin-3-ylpyridine-3-carboxamide

N-(1,3-benzodioxol-5-yl)-2-(1,3-benzodioxol-5-ylmethylamino)-5-pyridin-3-ylpyridine-3-carboxamide (PubChem CID 44530423) has the molecular formula C26H20N4O5 and a molecular weight of 468.47 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-2-(1,3-benzodioxol-5-ylmethylamino)-5-pyridin-3-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-2-(1,3-benzodioxol-5-ylmethylamino)-5-pyridin-3-ylpyridine-3-carboxamide
PubChem CID44530423
Molecular FormulaC26H20N4O5
Molecular Weight468.47 g/mol
Exact Mass468.14
IUPAC NameN-(1,3-benzodioxol-5-yl)-2-(1,3-benzodioxol-5-ylmethylamino)-5-pyridin-3-ylpyridine-3-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCO2)c1cc(-c2cccnc2)cnc1NCc1ccc2c(c1)OCO2
InChIInChI=1S/C26H20N4O5/c31-26(30-19-4-6-22-24(10-19)35-15-33-22)20-9-18(17-2-1-7-27-12-17)13-29-25(20)28-11-16-3-5-21-23(8-16)34-14-32-21/h1-10,12-13H,11,14-15H2,(H,28,29)(H,30,31)
InChIKeyZLCKPKCCFMYMSV-UHFFFAOYSA-N
XLogP4.47
TPSA103.83 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.47
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-2-(1,3-benzodioxol-5-ylmethylamino)-5-pyridin-3-ylpyridine-3-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-2-(1,3-benzodioxol-5-ylmethylamino)-5-pyridin-3-ylpyridine-3-carboxamide (CID 44530423) is N-(1,3-benzodioxol-5-yl)-2-(1,3-benzodioxol-5-ylmethylamino)-5-pyridin-3-ylpyridine-3-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-2-(1,3-benzodioxol-5-ylmethylamino)-5-pyridin-3-ylpyridine-3-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-2-(1,3-benzodioxol-5-ylmethylamino)-5-pyridin-3-ylpyridine-3-carboxamide is O=C(Nc1ccc2c(c1)OCO2)c1cc(-c2cccnc2)cnc1NCc1ccc2c(c1)OCO2.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-2-(1,3-benzodioxol-5-ylmethylamino)-5-pyridin-3-ylpyridine-3-carboxamide?
The InChIKey is ZLCKPKCCFMYMSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N4O5/c31-26(30-19-4-6-22-24(10-19)35-15-33-22)20-9-18(17-2-1-7-27-12-17)13-29-25(20)28-11-16-3-5-21-23(8-16)34-14-32-21/h1-10,12-13H,11,14-15H2,(H,28,29)(H,30,31).
What are the key properties of N-(1,3-benzodioxol-5-yl)-2-(1,3-benzodioxol-5-ylmethylamino)-5-pyridin-3-ylpyridine-3-carboxamide?
N-(1,3-benzodioxol-5-yl)-2-(1,3-benzodioxol-5-ylmethylamino)-5-pyridin-3-ylpyridine-3-carboxamide has a molecular weight of 468.47 g/mol, XLogP of 4.47, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-2-(1,3-benzodioxol-5-ylmethylamino)-5-pyridin-3-ylpyridine-3-carboxamide is sourced from PubChem (CID 44530423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).