4-(furan-2-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxamide

C13H15N3O3 — CID 675065

IUPAC4-(furan-2-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxamide
SMILESCC1=C(C(N)=O)C(c2ccco2)C(C(N)=O)=C(C)N1
InChIInChI=1S/C13H15N3O3/c1-6-9(12(14)17)11(8-4-3-5-19-8)10(13(15)18)7(2)16-6/h3-5,11,16H,1-2H3,(H2,14,17)(H2,15,18)
InChIKeyLLJMAYNIGALNBU-UHFFFAOYSA-N
MW261.28 g/mol
LogP0.49
Rot. Bonds3

About 4-(furan-2-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxamide

4-(furan-2-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxamide (PubChem CID 675065) has the molecular formula C13H15N3O3 and a molecular weight of 261.28 g/mol. Its IUPAC name is 4-(furan-2-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name4-(furan-2-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxamide
PubChem CID675065
Molecular FormulaC13H15N3O3
Molecular Weight261.28 g/mol
Exact Mass261.11
IUPAC Name4-(furan-2-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxamide
SMILESCC1=C(C(N)=O)C(c2ccco2)C(C(N)=O)=C(C)N1
InChIInChI=1S/C13H15N3O3/c1-6-9(12(14)17)11(8-4-3-5-19-8)10(13(15)18)7(2)16-6/h3-5,11,16H,1-2H3,(H2,14,17)(H2,15,18)
InChIKeyLLJMAYNIGALNBU-UHFFFAOYSA-N
XLogP0.49
TPSA111.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 50.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-Diethyl 4-(2-furanyl)-1,4-dihydro-2,6-dimethyl-3,5-pyridinedicarboxylate
CID 211446
3,5-Dimethyl 4-(2-furanyl)-1,4-dihydro-2,6-dimethyl-3,5-pyridinedicarboxylate
CID 206197
Diallyl 4-(2-furyl)-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxylate
CID 2891717
3-Ethyl 5-methyl 4-(2-furanyl)-1,4-dihydro-2,6-dimethyl-3,5-pyridinedicarboxylate
CID 2832255
Ethyl 5-cyano-4-(furan-2-yl)-2-methyl-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate
CID 658686
2,6-Dimethyl-4-(5-methyl-2-furyl)-1,4-dihydro-3,5-pyridinedicarboxamide
CID 965836
3-Furan-2-yl-3-p-tolyl-propionimidic acid
CID 2928875
3-(Furan-2-yl)-3-phenylpropanimidic acid
CID 2940074
5-(Furan-2-yl)-3-(heptylamino)cyclohex-2-en-1-one
CID 4569333
3,3,6,6-Tetramethyl-9-(5-methylfuran-2-yl)-2,4,5,7,9,10-hexahydroacridine-1,8-dione
CID 659481
5-(2-Furyl)-3-(isobutylamino)-2-cyclohexen-1-one
CID 2901459
ethyl 4-(furan-2-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate
CID 24827998

Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxamide?
The IUPAC name of 4-(furan-2-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxamide (CID 675065) is 4-(furan-2-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxamide.
What is the SMILES notation for 4-(furan-2-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxamide?
The canonical SMILES for 4-(furan-2-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxamide is CC1=C(C(N)=O)C(c2ccco2)C(C(N)=O)=C(C)N1.
What is the InChIKey of 4-(furan-2-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxamide?
The InChIKey is LLJMAYNIGALNBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3/c1-6-9(12(14)17)11(8-4-3-5-19-8)10(13(15)18)7(2)16-6/h3-5,11,16H,1-2H3,(H2,14,17)(H2,15,18).
What are the key properties of 4-(furan-2-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxamide?
4-(furan-2-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxamide has a molecular weight of 261.28 g/mol, XLogP of 0.49, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxamide is sourced from PubChem (CID 675065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).