2,6-dimethyl-3-N,5-N-dipyridin-2-yl-4-(1H-pyrrol-2-yl)-1,4-dihydropyridine-3,5-dicarboxamide

C23H22N6O2 — CID 46855303

IUPAC2,6-dimethyl-3-N,5-N-dipyridin-2-yl-4-(1H-pyrrol-2-yl)-1,4-dihydropyridine-3,5-dicarboxamide
SMILESCC1=C(C(=O)Nc2ccccn2)C(c2ccc[nH]2)C(C(=O)Nc2ccccn2)=C(C)N1
InChIInChI=1S/C23H22N6O2/c1-14-19(22(30)28-17-9-3-5-11-25-17)21(16-8-7-13-24-16)20(15(2)27-14)23(31)29-18-10-4-6-12-26-18/h3-13,21,24,27H,1-2H3,(H,25,28,30)(H,26,29,31)
InChIKeyJDIWURSNQOTKKY-UHFFFAOYSA-N
MW414.47 g/mol
LogP3.32
Rot. Bonds5

About 2,6-dimethyl-3-N,5-N-dipyridin-2-yl-4-(1H-pyrrol-2-yl)-1,4-dihydropyridine-3,5-dicarboxamide

2,6-dimethyl-3-N,5-N-dipyridin-2-yl-4-(1H-pyrrol-2-yl)-1,4-dihydropyridine-3,5-dicarboxamide (PubChem CID 46855303) has the molecular formula C23H22N6O2 and a molecular weight of 414.47 g/mol. Its IUPAC name is 2,6-dimethyl-3-N,5-N-dipyridin-2-yl-4-(1H-pyrrol-2-yl)-1,4-dihydropyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name2,6-dimethyl-3-N,5-N-dipyridin-2-yl-4-(1H-pyrrol-2-yl)-1,4-dihydropyridine-3,5-dicarboxamide
PubChem CID46855303
Molecular FormulaC23H22N6O2
Molecular Weight414.47 g/mol
Exact Mass414.18
IUPAC Name2,6-dimethyl-3-N,5-N-dipyridin-2-yl-4-(1H-pyrrol-2-yl)-1,4-dihydropyridine-3,5-dicarboxamide
SMILESCC1=C(C(=O)Nc2ccccn2)C(c2ccc[nH]2)C(C(=O)Nc2ccccn2)=C(C)N1
InChIInChI=1S/C23H22N6O2/c1-14-19(22(30)28-17-9-3-5-11-25-17)21(16-8-7-13-24-16)20(15(2)27-14)23(31)29-18-10-4-6-12-26-18/h3-13,21,24,27H,1-2H3,(H,25,28,30)(H,26,29,31)
InChIKeyJDIWURSNQOTKKY-UHFFFAOYSA-N
XLogP3.32
TPSA111.80 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.47
LogP ≤ 53.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-3-N,5-N-dipyridin-2-yl-4-(1H-pyrrol-2-yl)-1,4-dihydropyridine-3,5-dicarboxamide?
The IUPAC name of 2,6-dimethyl-3-N,5-N-dipyridin-2-yl-4-(1H-pyrrol-2-yl)-1,4-dihydropyridine-3,5-dicarboxamide (CID 46855303) is 2,6-dimethyl-3-N,5-N-dipyridin-2-yl-4-(1H-pyrrol-2-yl)-1,4-dihydropyridine-3,5-dicarboxamide.
What is the SMILES notation for 2,6-dimethyl-3-N,5-N-dipyridin-2-yl-4-(1H-pyrrol-2-yl)-1,4-dihydropyridine-3,5-dicarboxamide?
The canonical SMILES for 2,6-dimethyl-3-N,5-N-dipyridin-2-yl-4-(1H-pyrrol-2-yl)-1,4-dihydropyridine-3,5-dicarboxamide is CC1=C(C(=O)Nc2ccccn2)C(c2ccc[nH]2)C(C(=O)Nc2ccccn2)=C(C)N1.
What is the InChIKey of 2,6-dimethyl-3-N,5-N-dipyridin-2-yl-4-(1H-pyrrol-2-yl)-1,4-dihydropyridine-3,5-dicarboxamide?
The InChIKey is JDIWURSNQOTKKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N6O2/c1-14-19(22(30)28-17-9-3-5-11-25-17)21(16-8-7-13-24-16)20(15(2)27-14)23(31)29-18-10-4-6-12-26-18/h3-13,21,24,27H,1-2H3,(H,25,28,30)(H,26,29,31).
What are the key properties of 2,6-dimethyl-3-N,5-N-dipyridin-2-yl-4-(1H-pyrrol-2-yl)-1,4-dihydropyridine-3,5-dicarboxamide?
2,6-dimethyl-3-N,5-N-dipyridin-2-yl-4-(1H-pyrrol-2-yl)-1,4-dihydropyridine-3,5-dicarboxamide has a molecular weight of 414.47 g/mol, XLogP of 3.32, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-3-N,5-N-dipyridin-2-yl-4-(1H-pyrrol-2-yl)-1,4-dihydropyridine-3,5-dicarboxamide is sourced from PubChem (CID 46855303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).