5-N-(1,3-benzodioxol-5-yl)-3-N-(4-cyanophenyl)pyridine-3,5-dicarboxamide

C21H14N4O4 — CID 109109030

IUPAC5-N-(1,3-benzodioxol-5-yl)-3-N-(4-cyanophenyl)pyridine-3,5-dicarboxamide
SMILESN#Cc1ccc(NC(=O)c2cncc(C(=O)Nc3ccc4c(c3)OCO4)c2)cc1
InChIInChI=1S/C21H14N4O4/c22-9-13-1-3-16(4-2-13)24-20(26)14-7-15(11-23-10-14)21(27)25-17-5-6-18-19(8-17)29-12-28-18/h1-8,10-11H,12H2,(H,24,26)(H,25,27)
InChIKeyTWACTINKTQHTIC-UHFFFAOYSA-N
MW386.37 g/mol
LogP3.19
Rot. Bonds4

About 5-N-(1,3-benzodioxol-5-yl)-3-N-(4-cyanophenyl)pyridine-3,5-dicarboxamide

5-N-(1,3-benzodioxol-5-yl)-3-N-(4-cyanophenyl)pyridine-3,5-dicarboxamide (PubChem CID 109109030) has the molecular formula C21H14N4O4 and a molecular weight of 386.37 g/mol. Its IUPAC name is 5-N-(1,3-benzodioxol-5-yl)-3-N-(4-cyanophenyl)pyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name5-N-(1,3-benzodioxol-5-yl)-3-N-(4-cyanophenyl)pyridine-3,5-dicarboxamide
PubChem CID109109030
Molecular FormulaC21H14N4O4
Molecular Weight386.37 g/mol
Exact Mass386.10
IUPAC Name5-N-(1,3-benzodioxol-5-yl)-3-N-(4-cyanophenyl)pyridine-3,5-dicarboxamide
SMILESN#Cc1ccc(NC(=O)c2cncc(C(=O)Nc3ccc4c(c3)OCO4)c2)cc1
InChIInChI=1S/C21H14N4O4/c22-9-13-1-3-16(4-2-13)24-20(26)14-7-15(11-23-10-14)21(27)25-17-5-6-18-19(8-17)29-12-28-18/h1-8,10-11H,12H2,(H,24,26)(H,25,27)
InChIKeyTWACTINKTQHTIC-UHFFFAOYSA-N
XLogP3.19
TPSA113.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.37
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(1,3-benzodioxol-5-yl)-3-(4-cyanophenyl)urea
CID 46860052
3-N-(1,3-benzodioxol-5-yl)-1-N-(3-cyanophenyl)benzene-1,3-dicarboxamide
CID 109057769
6-(1,3-benzodioxol-5-ylamino)-N-(4-cyanophenyl)pyridine-3-carboxamide
CID 109164804
5-N-(1,3-benzodioxol-5-yl)-3-N-(3-chlorophenyl)pyridine-3,5-dicarboxamide
CID 109108795
N-(1,3-benzodioxol-5-ylmethyl)-5-(4-cyanoanilino)pyridine-3-carboxamide
CID 109234637
5-N-(1,3-benzodioxol-5-yl)-3-N-[2-(dimethylamino)ethyl]pyridine-3,5-dicarboxamide
CID 109104153
N-(1,3-benzodioxol-5-yl)-5-(4-methylpiperazine-1-carbonyl)pyridine-3-carboxamide
CID 109104512
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-hydroxypyridine-3-carboxamide
CID 63864601
N-(1,3-benzodioxol-5-yl)-5-[2-(dimethylamino)ethylamino]pyridine-3-carboxamide
CID 109229419
N-(1,3-benzodioxol-5-yl)-5-(butan-2-ylamino)pyridine-3-carboxamide
CID 109225469
methyl 4-[[5-(1,3-benzodioxol-5-ylcarbamoyl)-3-pyridinyl]amino]benzoate
CID 109245974
2-(1,3-benzodioxol-5-ylmethylamino)-N-(4-cyanophenyl)pyridine-4-carboxamide
CID 109171488

Frequently Asked Questions

What is the IUPAC name of 5-N-(1,3-benzodioxol-5-yl)-3-N-(4-cyanophenyl)pyridine-3,5-dicarboxamide?
The IUPAC name of 5-N-(1,3-benzodioxol-5-yl)-3-N-(4-cyanophenyl)pyridine-3,5-dicarboxamide (CID 109109030) is 5-N-(1,3-benzodioxol-5-yl)-3-N-(4-cyanophenyl)pyridine-3,5-dicarboxamide.
What is the SMILES notation for 5-N-(1,3-benzodioxol-5-yl)-3-N-(4-cyanophenyl)pyridine-3,5-dicarboxamide?
The canonical SMILES for 5-N-(1,3-benzodioxol-5-yl)-3-N-(4-cyanophenyl)pyridine-3,5-dicarboxamide is N#Cc1ccc(NC(=O)c2cncc(C(=O)Nc3ccc4c(c3)OCO4)c2)cc1.
What is the InChIKey of 5-N-(1,3-benzodioxol-5-yl)-3-N-(4-cyanophenyl)pyridine-3,5-dicarboxamide?
The InChIKey is TWACTINKTQHTIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14N4O4/c22-9-13-1-3-16(4-2-13)24-20(26)14-7-15(11-23-10-14)21(27)25-17-5-6-18-19(8-17)29-12-28-18/h1-8,10-11H,12H2,(H,24,26)(H,25,27).
What are the key properties of 5-N-(1,3-benzodioxol-5-yl)-3-N-(4-cyanophenyl)pyridine-3,5-dicarboxamide?
5-N-(1,3-benzodioxol-5-yl)-3-N-(4-cyanophenyl)pyridine-3,5-dicarboxamide has a molecular weight of 386.37 g/mol, XLogP of 3.19, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(1,3-benzodioxol-5-yl)-3-N-(4-cyanophenyl)pyridine-3,5-dicarboxamide is sourced from PubChem (CID 109109030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).