5-N-(1,3-benzodioxol-5-yl)-3-N-[2-(dimethylamino)ethyl]pyridine-3,5-dicarboxamide

C18H20N4O4 — CID 109104153

IUPAC5-N-(1,3-benzodioxol-5-yl)-3-N-[2-(dimethylamino)ethyl]pyridine-3,5-dicarboxamide
SMILESCN(C)CCNC(=O)c1cncc(C(=O)Nc2ccc3c(c2)OCO3)c1
InChIInChI=1S/C18H20N4O4/c1-22(2)6-5-20-17(23)12-7-13(10-19-9-12)18(24)21-14-3-4-15-16(8-14)26-11-25-15/h3-4,7-10H,5-6,11H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyIMRBGFIVXQUVIO-UHFFFAOYSA-N
MW356.38 g/mol
LogP1.35
Rot. Bonds6

About 5-N-(1,3-benzodioxol-5-yl)-3-N-[2-(dimethylamino)ethyl]pyridine-3,5-dicarboxamide

5-N-(1,3-benzodioxol-5-yl)-3-N-[2-(dimethylamino)ethyl]pyridine-3,5-dicarboxamide (PubChem CID 109104153) has the molecular formula C18H20N4O4 and a molecular weight of 356.38 g/mol. Its IUPAC name is 5-N-(1,3-benzodioxol-5-yl)-3-N-[2-(dimethylamino)ethyl]pyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name5-N-(1,3-benzodioxol-5-yl)-3-N-[2-(dimethylamino)ethyl]pyridine-3,5-dicarboxamide
PubChem CID109104153
Molecular FormulaC18H20N4O4
Molecular Weight356.38 g/mol
Exact Mass356.15
IUPAC Name5-N-(1,3-benzodioxol-5-yl)-3-N-[2-(dimethylamino)ethyl]pyridine-3,5-dicarboxamide
SMILESCN(C)CCNC(=O)c1cncc(C(=O)Nc2ccc3c(c2)OCO3)c1
InChIInChI=1S/C18H20N4O4/c1-22(2)6-5-20-17(23)12-7-13(10-19-9-12)18(24)21-14-3-4-15-16(8-14)26-11-25-15/h3-4,7-10H,5-6,11H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyIMRBGFIVXQUVIO-UHFFFAOYSA-N
XLogP1.35
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,3-benzodioxol-5-yl)-5-[2-(dimethylamino)ethylamino]pyridine-3-carboxamide
CID 109229419
3-N-(1,3-benzodioxol-5-yl)-1-N-[3-(dimethylamino)propyl]benzene-1,3-dicarboxamide
CID 109053473
N-[2-(dimethylamino)ethyl]-1,3-benzodioxole-5-carboxamide
CID 892533
3-N-[2-(dimethylamino)ethyl]-5-N-(4-ethylphenyl)pyridine-3,5-dicarboxamide
CID 109104100
3-N-[2-(dimethylamino)ethyl]-5-N-(4-propan-2-ylphenyl)pyridine-3,5-dicarboxamide
CID 109104104
3-N-[2-(dimethylamino)ethyl]-5-N-(4-piperidin-1-ylphenyl)pyridine-3,5-dicarboxamide
CID 109104148
5-N-(1,3-benzodioxol-5-yl)-3-N-(4-cyanophenyl)pyridine-3,5-dicarboxamide
CID 109109030
5-N-(1,3-benzodioxol-5-yl)-3-N-(3-chlorophenyl)pyridine-3,5-dicarboxamide
CID 109108795
methyl 3-[[5-[2-(dimethylamino)ethylcarbamoyl]pyridine-3-carbonyl]amino]benzoate
CID 109104143
5-N-(4-acetamidophenyl)-3-N-[3-(dimethylamino)propyl]pyridine-3,5-dicarboxamide
CID 109104366
methyl 4-[[5-(1,3-benzodioxol-5-ylcarbamoyl)-3-pyridinyl]amino]benzoate
CID 109245974
N-(1,3-benzodioxol-5-yl)-5-(butan-2-ylamino)pyridine-3-carboxamide
CID 109225469

Frequently Asked Questions

What is the IUPAC name of 5-N-(1,3-benzodioxol-5-yl)-3-N-[2-(dimethylamino)ethyl]pyridine-3,5-dicarboxamide?
The IUPAC name of 5-N-(1,3-benzodioxol-5-yl)-3-N-[2-(dimethylamino)ethyl]pyridine-3,5-dicarboxamide (CID 109104153) is 5-N-(1,3-benzodioxol-5-yl)-3-N-[2-(dimethylamino)ethyl]pyridine-3,5-dicarboxamide.
What is the SMILES notation for 5-N-(1,3-benzodioxol-5-yl)-3-N-[2-(dimethylamino)ethyl]pyridine-3,5-dicarboxamide?
The canonical SMILES for 5-N-(1,3-benzodioxol-5-yl)-3-N-[2-(dimethylamino)ethyl]pyridine-3,5-dicarboxamide is CN(C)CCNC(=O)c1cncc(C(=O)Nc2ccc3c(c2)OCO3)c1.
What is the InChIKey of 5-N-(1,3-benzodioxol-5-yl)-3-N-[2-(dimethylamino)ethyl]pyridine-3,5-dicarboxamide?
The InChIKey is IMRBGFIVXQUVIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O4/c1-22(2)6-5-20-17(23)12-7-13(10-19-9-12)18(24)21-14-3-4-15-16(8-14)26-11-25-15/h3-4,7-10H,5-6,11H2,1-2H3,(H,20,23)(H,21,24).
What are the key properties of 5-N-(1,3-benzodioxol-5-yl)-3-N-[2-(dimethylamino)ethyl]pyridine-3,5-dicarboxamide?
5-N-(1,3-benzodioxol-5-yl)-3-N-[2-(dimethylamino)ethyl]pyridine-3,5-dicarboxamide has a molecular weight of 356.38 g/mol, XLogP of 1.35, 6 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-[2-(dimethylamino)ethyl]pyridine-3,5-dicarboxamide is sourced from PubChem (CID 109104153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).