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

C23H21N5O3 — CID 46855145

IUPAC4-(furan-2-yl)-2,6-dimethyl-3-N,5-N-dipyridin-2-yl-1,4-dihydropyridine-3,5-dicarboxamide
SMILESCC1=C(C(=O)Nc2ccccn2)C(c2ccco2)C(C(=O)Nc2ccccn2)=C(C)N1
InChIInChI=1S/C23H21N5O3/c1-14-19(22(29)27-17-9-3-5-11-24-17)21(16-8-7-13-31-16)20(15(2)26-14)23(30)28-18-10-4-6-12-25-18/h3-13,21,26H,1-2H3,(H,24,27,29)(H,25,28,30)
InChIKeyDXOLCVIVWZJVJQ-UHFFFAOYSA-N
MW415.45 g/mol
LogP3.58
Rot. Bonds5

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

4-(furan-2-yl)-2,6-dimethyl-3-N,5-N-dipyridin-2-yl-1,4-dihydropyridine-3,5-dicarboxamide (PubChem CID 46855145) has the molecular formula C23H21N5O3 and a molecular weight of 415.45 g/mol. Its IUPAC name is 4-(furan-2-yl)-2,6-dimethyl-3-N,5-N-dipyridin-2-yl-1,4-dihydropyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name4-(furan-2-yl)-2,6-dimethyl-3-N,5-N-dipyridin-2-yl-1,4-dihydropyridine-3,5-dicarboxamide
PubChem CID46855145
Molecular FormulaC23H21N5O3
Molecular Weight415.45 g/mol
Exact Mass415.16
IUPAC Name4-(furan-2-yl)-2,6-dimethyl-3-N,5-N-dipyridin-2-yl-1,4-dihydropyridine-3,5-dicarboxamide
SMILESCC1=C(C(=O)Nc2ccccn2)C(c2ccco2)C(C(=O)Nc2ccccn2)=C(C)N1
InChIInChI=1S/C23H21N5O3/c1-14-19(22(29)27-17-9-3-5-11-24-17)21(16-8-7-13-31-16)20(15(2)26-14)23(30)28-18-10-4-6-12-25-18/h3-13,21,26H,1-2H3,(H,24,27,29)(H,25,28,30)
InChIKeyDXOLCVIVWZJVJQ-UHFFFAOYSA-N
XLogP3.58
TPSA109.15 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.45
LogP ≤ 53.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-yl)-2,6-dimethyl-3-N,5-N-dipyridin-2-yl-1,4-dihydropyridine-3,5-dicarboxamide?
The IUPAC name of 4-(furan-2-yl)-2,6-dimethyl-3-N,5-N-dipyridin-2-yl-1,4-dihydropyridine-3,5-dicarboxamide (CID 46855145) is 4-(furan-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-(furan-2-yl)-2,6-dimethyl-3-N,5-N-dipyridin-2-yl-1,4-dihydropyridine-3,5-dicarboxamide?
The canonical SMILES for 4-(furan-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(c2ccco2)C(C(=O)Nc2ccccn2)=C(C)N1.
What is the InChIKey of 4-(furan-2-yl)-2,6-dimethyl-3-N,5-N-dipyridin-2-yl-1,4-dihydropyridine-3,5-dicarboxamide?
The InChIKey is DXOLCVIVWZJVJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O3/c1-14-19(22(29)27-17-9-3-5-11-24-17)21(16-8-7-13-31-16)20(15(2)26-14)23(30)28-18-10-4-6-12-25-18/h3-13,21,26H,1-2H3,(H,24,27,29)(H,25,28,30).
What are the key properties of 4-(furan-2-yl)-2,6-dimethyl-3-N,5-N-dipyridin-2-yl-1,4-dihydropyridine-3,5-dicarboxamide?
4-(furan-2-yl)-2,6-dimethyl-3-N,5-N-dipyridin-2-yl-1,4-dihydropyridine-3,5-dicarboxamide has a molecular weight of 415.45 g/mol, XLogP of 3.58, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-yl)-2,6-dimethyl-3-N,5-N-dipyridin-2-yl-1,4-dihydropyridine-3,5-dicarboxamide is sourced from PubChem (CID 46855145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).