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

C14H17N3O3 — CID 965836

IUPAC2,6-dimethyl-4-(5-methylfuran-2-yl)-1,4-dihydropyridine-3,5-dicarboxamide
SMILESCC1=C(C(N)=O)C(c2ccc(C)o2)C(C(N)=O)=C(C)N1
InChIInChI=1S/C14H17N3O3/c1-6-4-5-9(20-6)12-10(13(15)18)7(2)17-8(3)11(12)14(16)19/h4-5,12,17H,1-3H3,(H2,15,18)(H2,16,19)
InChIKeyDNIIUHDEFJAMNQ-UHFFFAOYSA-N
MW275.31 g/mol
LogP0.79
Rot. Bonds3

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

2,6-dimethyl-4-(5-methylfuran-2-yl)-1,4-dihydropyridine-3,5-dicarboxamide (PubChem CID 965836) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is 2,6-dimethyl-4-(5-methylfuran-2-yl)-1,4-dihydropyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name2,6-dimethyl-4-(5-methylfuran-2-yl)-1,4-dihydropyridine-3,5-dicarboxamide
PubChem CID965836
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name2,6-dimethyl-4-(5-methylfuran-2-yl)-1,4-dihydropyridine-3,5-dicarboxamide
SMILESCC1=C(C(N)=O)C(c2ccc(C)o2)C(C(N)=O)=C(C)N1
InChIInChI=1S/C14H17N3O3/c1-6-4-5-9(20-6)12-10(13(15)18)7(2)17-8(3)11(12)14(16)19/h4-5,12,17H,1-3H3,(H2,15,18)(H2,16,19)
InChIKeyDNIIUHDEFJAMNQ-UHFFFAOYSA-N
XLogP0.79
TPSA111.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 50.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-(5-methylfuran-2-yl)-1,4-dihydropyridine-3,5-dicarboxamide?
The IUPAC name of 2,6-dimethyl-4-(5-methylfuran-2-yl)-1,4-dihydropyridine-3,5-dicarboxamide (CID 965836) is 2,6-dimethyl-4-(5-methylfuran-2-yl)-1,4-dihydropyridine-3,5-dicarboxamide.
What is the SMILES notation for 2,6-dimethyl-4-(5-methylfuran-2-yl)-1,4-dihydropyridine-3,5-dicarboxamide?
The canonical SMILES for 2,6-dimethyl-4-(5-methylfuran-2-yl)-1,4-dihydropyridine-3,5-dicarboxamide is CC1=C(C(N)=O)C(c2ccc(C)o2)C(C(N)=O)=C(C)N1.
What is the InChIKey of 2,6-dimethyl-4-(5-methylfuran-2-yl)-1,4-dihydropyridine-3,5-dicarboxamide?
The InChIKey is DNIIUHDEFJAMNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-6-4-5-9(20-6)12-10(13(15)18)7(2)17-8(3)11(12)14(16)19/h4-5,12,17H,1-3H3,(H2,15,18)(H2,16,19).
What are the key properties of 2,6-dimethyl-4-(5-methylfuran-2-yl)-1,4-dihydropyridine-3,5-dicarboxamide?
2,6-dimethyl-4-(5-methylfuran-2-yl)-1,4-dihydropyridine-3,5-dicarboxamide has a molecular weight of 275.31 g/mol, XLogP of 0.79, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-(5-methylfuran-2-yl)-1,4-dihydropyridine-3,5-dicarboxamide is sourced from PubChem (CID 965836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).