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

C22H21N7O2 — CID 46855148

IUPAC4-(1H-imidazol-2-yl)-2,6-dimethyl-3-N,5-N-dipyridin-2-yl-1,4-dihydropyridine-3,5-dicarboxamide
SMILESCC1=C(C(=O)Nc2ccccn2)C(c2ncc[nH]2)C(C(=O)Nc2ccccn2)=C(C)N1
InChIInChI=1S/C22H21N7O2/c1-13-17(21(30)28-15-7-3-5-9-23-15)19(20-25-11-12-26-20)18(14(2)27-13)22(31)29-16-8-4-6-10-24-16/h3-12,19,27H,1-2H3,(H,25,26)(H,23,28,30)(H,24,29,31)
InChIKeyGMKKEQXYVGJGFH-UHFFFAOYSA-N
MW415.46 g/mol
LogP2.71
Rot. Bonds5

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

4-(1H-imidazol-2-yl)-2,6-dimethyl-3-N,5-N-dipyridin-2-yl-1,4-dihydropyridine-3,5-dicarboxamide (PubChem CID 46855148) has the molecular formula C22H21N7O2 and a molecular weight of 415.46 g/mol. Its IUPAC name is 4-(1H-imidazol-2-yl)-2,6-dimethyl-3-N,5-N-dipyridin-2-yl-1,4-dihydropyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name4-(1H-imidazol-2-yl)-2,6-dimethyl-3-N,5-N-dipyridin-2-yl-1,4-dihydropyridine-3,5-dicarboxamide
PubChem CID46855148
Molecular FormulaC22H21N7O2
Molecular Weight415.46 g/mol
Exact Mass415.18
IUPAC Name4-(1H-imidazol-2-yl)-2,6-dimethyl-3-N,5-N-dipyridin-2-yl-1,4-dihydropyridine-3,5-dicarboxamide
SMILESCC1=C(C(=O)Nc2ccccn2)C(c2ncc[nH]2)C(C(=O)Nc2ccccn2)=C(C)N1
InChIInChI=1S/C22H21N7O2/c1-13-17(21(30)28-15-7-3-5-9-23-15)19(20-25-11-12-26-20)18(14(2)27-13)22(31)29-16-8-4-6-10-24-16/h3-12,19,27H,1-2H3,(H,25,26)(H,23,28,30)(H,24,29,31)
InChIKeyGMKKEQXYVGJGFH-UHFFFAOYSA-N
XLogP2.71
TPSA124.69 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.46
LogP ≤ 52.71
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(1H-imidazol-2-yl)-2,6-dimethyl-3-N,5-N-dipyridin-2-yl-1,4-dihydropyridine-3,5-dicarboxamide?
The IUPAC name of 4-(1H-imidazol-2-yl)-2,6-dimethyl-3-N,5-N-dipyridin-2-yl-1,4-dihydropyridine-3,5-dicarboxamide (CID 46855148) is 4-(1H-imidazol-2-yl)-2,6-dimethyl-3-N,5-N-dipyridin-2-yl-1,4-dihydropyridine-3,5-dicarboxamide.
What is the SMILES notation for 4-(1H-imidazol-2-yl)-2,6-dimethyl-3-N,5-N-dipyridin-2-yl-1,4-dihydropyridine-3,5-dicarboxamide?
The canonical SMILES for 4-(1H-imidazol-2-yl)-2,6-dimethyl-3-N,5-N-dipyridin-2-yl-1,4-dihydropyridine-3,5-dicarboxamide is CC1=C(C(=O)Nc2ccccn2)C(c2ncc[nH]2)C(C(=O)Nc2ccccn2)=C(C)N1.
What is the InChIKey of 4-(1H-imidazol-2-yl)-2,6-dimethyl-3-N,5-N-dipyridin-2-yl-1,4-dihydropyridine-3,5-dicarboxamide?
The InChIKey is GMKKEQXYVGJGFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N7O2/c1-13-17(21(30)28-15-7-3-5-9-23-15)19(20-25-11-12-26-20)18(14(2)27-13)22(31)29-16-8-4-6-10-24-16/h3-12,19,27H,1-2H3,(H,25,26)(H,23,28,30)(H,24,29,31).
What are the key properties of 4-(1H-imidazol-2-yl)-2,6-dimethyl-3-N,5-N-dipyridin-2-yl-1,4-dihydropyridine-3,5-dicarboxamide?
4-(1H-imidazol-2-yl)-2,6-dimethyl-3-N,5-N-dipyridin-2-yl-1,4-dihydropyridine-3,5-dicarboxamide has a molecular weight of 415.46 g/mol, XLogP of 2.71, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-imidazol-2-yl)-2,6-dimethyl-3-N,5-N-dipyridin-2-yl-1,4-dihydropyridine-3,5-dicarboxamide is sourced from PubChem (CID 46855148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).