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

C20H14ClN3O4 — CID 109108795

IUPAC5-N-(1,3-benzodioxol-5-yl)-3-N-(3-chlorophenyl)pyridine-3,5-dicarboxamide
SMILESO=C(Nc1cccc(Cl)c1)c1cncc(C(=O)Nc2ccc3c(c2)OCO3)c1
InChIInChI=1S/C20H14ClN3O4/c21-14-2-1-3-15(7-14)23-19(25)12-6-13(10-22-9-12)20(26)24-16-4-5-17-18(8-16)28-11-27-17/h1-10H,11H2,(H,23,25)(H,24,26)
InChIKeyGLSWNWYTUNJGQA-UHFFFAOYSA-N
MW395.80 g/mol
LogP3.97
Rot. Bonds4

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

5-N-(1,3-benzodioxol-5-yl)-3-N-(3-chlorophenyl)pyridine-3,5-dicarboxamide (PubChem CID 109108795) has the molecular formula C20H14ClN3O4 and a molecular weight of 395.80 g/mol. Its IUPAC name is 5-N-(1,3-benzodioxol-5-yl)-3-N-(3-chlorophenyl)pyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name5-N-(1,3-benzodioxol-5-yl)-3-N-(3-chlorophenyl)pyridine-3,5-dicarboxamide
PubChem CID109108795
Molecular FormulaC20H14ClN3O4
Molecular Weight395.80 g/mol
Exact Mass395.07
IUPAC Name5-N-(1,3-benzodioxol-5-yl)-3-N-(3-chlorophenyl)pyridine-3,5-dicarboxamide
SMILESO=C(Nc1cccc(Cl)c1)c1cncc(C(=O)Nc2ccc3c(c2)OCO3)c1
InChIInChI=1S/C20H14ClN3O4/c21-14-2-1-3-15(7-14)23-19(25)12-6-13(10-22-9-12)20(26)24-16-4-5-17-18(8-16)28-11-27-17/h1-10H,11H2,(H,23,25)(H,24,26)
InChIKeyGLSWNWYTUNJGQA-UHFFFAOYSA-N
XLogP3.97
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.80
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(1,3-benzodioxol-5-yl)-2-N-(3-chlorophenyl)pyridine-2,4-dicarboxamide
CID 109092846
2-(1,3-benzodioxol-5-ylamino)-N-(3-chlorophenyl)pyridine-4-carboxamide
CID 109177450
5-N-(1,3-benzodioxol-5-yl)-3-N-(4-cyanophenyl)pyridine-3,5-dicarboxamide
CID 109109030
N-[3-(3-chlorophenyl)phenyl]-1,3-benzodioxole-5-carboxamide
CID 141145423
N-(3-chlorophenyl)-5-(morpholine-4-carbonyl)pyridine-3-carboxamide
CID 109103815
N-(1,3-benzodioxol-5-yl)-5,6-dichloropyridine-3-carboxamide
CID 2471203
N-(1,3-benzodioxol-5-yl)-5-(3-methoxyanilino)pyridine-3-carboxamide
CID 109245269
5-N-(1,3-benzodioxol-5-yl)-3-N-[2-(dimethylamino)ethyl]pyridine-3,5-dicarboxamide
CID 109104153
5-(3-chloroanilino)-N-(3-chlorophenyl)pyridine-3-carboxamide
CID 109244464
N-(1,3-benzodioxol-5-yl)-5-(4-methylpiperazine-1-carbonyl)pyridine-3-carboxamide
CID 109104512
3-N-(3-chlorophenyl)-5-N-cyclopentylpyridine-3,5-dicarboxamide
CID 109102765
3-N-(1,3-benzodioxol-5-yl)-1-N-(3-cyanophenyl)benzene-1,3-dicarboxamide
CID 109057769

Frequently Asked Questions

What is the IUPAC name of 5-N-(1,3-benzodioxol-5-yl)-3-N-(3-chlorophenyl)pyridine-3,5-dicarboxamide?
The IUPAC name of 5-N-(1,3-benzodioxol-5-yl)-3-N-(3-chlorophenyl)pyridine-3,5-dicarboxamide (CID 109108795) is 5-N-(1,3-benzodioxol-5-yl)-3-N-(3-chlorophenyl)pyridine-3,5-dicarboxamide.
What is the SMILES notation for 5-N-(1,3-benzodioxol-5-yl)-3-N-(3-chlorophenyl)pyridine-3,5-dicarboxamide?
The canonical SMILES for 5-N-(1,3-benzodioxol-5-yl)-3-N-(3-chlorophenyl)pyridine-3,5-dicarboxamide is O=C(Nc1cccc(Cl)c1)c1cncc(C(=O)Nc2ccc3c(c2)OCO3)c1.
What is the InChIKey of 5-N-(1,3-benzodioxol-5-yl)-3-N-(3-chlorophenyl)pyridine-3,5-dicarboxamide?
The InChIKey is GLSWNWYTUNJGQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClN3O4/c21-14-2-1-3-15(7-14)23-19(25)12-6-13(10-22-9-12)20(26)24-16-4-5-17-18(8-16)28-11-27-17/h1-10H,11H2,(H,23,25)(H,24,26).
What are the key properties of 5-N-(1,3-benzodioxol-5-yl)-3-N-(3-chlorophenyl)pyridine-3,5-dicarboxamide?
5-N-(1,3-benzodioxol-5-yl)-3-N-(3-chlorophenyl)pyridine-3,5-dicarboxamide has a molecular weight of 395.80 g/mol, XLogP of 3.97, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(1,3-benzodioxol-5-yl)-3-N-(3-chlorophenyl)pyridine-3,5-dicarboxamide is sourced from PubChem (CID 109108795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).