4-(1,3-benzodioxol-5-yl)-3-N,5-N,2,6-tetramethyl-1,4-dihydropyridine-3,5-dicarboxamide

C18H21N3O4 — CID 3074794

IUPAC4-(1,3-benzodioxol-5-yl)-3-N,5-N,2,6-tetramethyl-1,4-dihydropyridine-3,5-dicarboxamide
SMILESCNC(=O)C1=C(C)NC(C)=C(C(=O)NC)C1c1ccc2c(c1)OCO2
InChIInChI=1S/C18H21N3O4/c1-9-14(17(22)19-3)16(15(10(2)21-9)18(23)20-4)11-5-6-12-13(7-11)25-8-24-12/h5-7,16,21H,8H2,1-4H3,(H,19,22)(H,20,23)
InChIKeyQFJLJHSNWSHZLC-UHFFFAOYSA-N
MW343.38 g/mol
LogP1.14
Rot. Bonds3

About 4-(1,3-benzodioxol-5-yl)-3-N,5-N,2,6-tetramethyl-1,4-dihydropyridine-3,5-dicarboxamide

4-(1,3-benzodioxol-5-yl)-3-N,5-N,2,6-tetramethyl-1,4-dihydropyridine-3,5-dicarboxamide (PubChem CID 3074794) has the molecular formula C18H21N3O4 and a molecular weight of 343.38 g/mol. Its IUPAC name is 4-(1,3-benzodioxol-5-yl)-3-N,5-N,2,6-tetramethyl-1,4-dihydropyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name4-(1,3-benzodioxol-5-yl)-3-N,5-N,2,6-tetramethyl-1,4-dihydropyridine-3,5-dicarboxamide
PubChem CID3074794
Molecular FormulaC18H21N3O4
Molecular Weight343.38 g/mol
Exact Mass343.15
IUPAC Name4-(1,3-benzodioxol-5-yl)-3-N,5-N,2,6-tetramethyl-1,4-dihydropyridine-3,5-dicarboxamide
SMILESCNC(=O)C1=C(C)NC(C)=C(C(=O)NC)C1c1ccc2c(c1)OCO2
InChIInChI=1S/C18H21N3O4/c1-9-14(17(22)19-3)16(15(10(2)21-9)18(23)20-4)11-5-6-12-13(7-11)25-8-24-12/h5-7,16,21H,8H2,1-4H3,(H,19,22)(H,20,23)
InChIKeyQFJLJHSNWSHZLC-UHFFFAOYSA-N
XLogP1.14
TPSA88.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 51.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

dimethyl 4-(1,3-benzodioxol-5-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
CID 704243
dimethyl 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
CID 50901648
ethyl (4R)-4-(1,3-benzodioxol-5-yl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 702568
methyl (5R)-5-(1,3-benzodioxol-5-yl)-7-methyl-4-oxo-2-sulfanylidene-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carboxylate
CID 7109412
(4S)-4-(1,3-benzodioxol-5-yl)-N-(4-fluorophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 1093004
methyl (4R)-4-(1,3-benzodioxol-5-yl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
CID 721410
methyl 4-(1,3-benzodioxol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate
CID 5229101
4-(1,3-benzodioxol-5-yl)-N-(4-fluorophenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxamide
CID 2900697
4-(1,3-benzodioxol-5-yl)-N-(2,6-difluorophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 23945058
(4R)-4-(1,3-benzodioxol-5-yl)-N-(4-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 34064342
(4S)-4-(1,3-benzodioxol-5-yl)-6-methyl-N-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 1009548
(4S)-4-(1,3-benzodioxol-5-yl)-N-(2-fluorophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 1023852

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-benzodioxol-5-yl)-3-N,5-N,2,6-tetramethyl-1,4-dihydropyridine-3,5-dicarboxamide?
The IUPAC name of 4-(1,3-benzodioxol-5-yl)-3-N,5-N,2,6-tetramethyl-1,4-dihydropyridine-3,5-dicarboxamide (CID 3074794) is 4-(1,3-benzodioxol-5-yl)-3-N,5-N,2,6-tetramethyl-1,4-dihydropyridine-3,5-dicarboxamide.
What is the SMILES notation for 4-(1,3-benzodioxol-5-yl)-3-N,5-N,2,6-tetramethyl-1,4-dihydropyridine-3,5-dicarboxamide?
The canonical SMILES for 4-(1,3-benzodioxol-5-yl)-3-N,5-N,2,6-tetramethyl-1,4-dihydropyridine-3,5-dicarboxamide is CNC(=O)C1=C(C)NC(C)=C(C(=O)NC)C1c1ccc2c(c1)OCO2.
What is the InChIKey of 4-(1,3-benzodioxol-5-yl)-3-N,5-N,2,6-tetramethyl-1,4-dihydropyridine-3,5-dicarboxamide?
The InChIKey is QFJLJHSNWSHZLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O4/c1-9-14(17(22)19-3)16(15(10(2)21-9)18(23)20-4)11-5-6-12-13(7-11)25-8-24-12/h5-7,16,21H,8H2,1-4H3,(H,19,22)(H,20,23).
What are the key properties of 4-(1,3-benzodioxol-5-yl)-3-N,5-N,2,6-tetramethyl-1,4-dihydropyridine-3,5-dicarboxamide?
4-(1,3-benzodioxol-5-yl)-3-N,5-N,2,6-tetramethyl-1,4-dihydropyridine-3,5-dicarboxamide has a molecular weight of 343.38 g/mol, XLogP of 1.14, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-benzodioxol-5-yl)-3-N,5-N,2,6-tetramethyl-1,4-dihydropyridine-3,5-dicarboxamide is sourced from PubChem (CID 3074794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).