3-N,5-N-bis[5-[(E)-2-(4-methoxyphenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl]-2,6-dimethyl-4-phenyl-1,4-dihydropyridine-3,5-dicarboxamide

C41H39N5O6 — CID 11657690

IUPAC3-N,5-N-bis[5-[(E)-2-(4-methoxyphenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl]-2,6-dimethyl-4-phenyl-1,4-dihydropyridine-3,5-dicarboxamide
SMILESCOc1ccc(/C=C/c2onc(C)c2NC(=O)C2=C(C)NC(C)=C(C(=O)Nc3c(C)noc3/C=C/c3ccc(OC)cc3)C2c2ccccc2)cc1
InChIInChI=1S/C41H39N5O6/c1-24-35(40(47)43-38-26(3)45-51-33(38)22-16-28-12-18-31(49-5)19-13-28)37(30-10-8-7-9-11-30)36(25(2)42-24)41(48)44-39-27(4)46-52-34(39)23-17-29-14-20-32(50-6)21-15-29/h7-23,37,42H,1-6H3,(H,43,47)(H,44,48)/b22-16+,23-17+
InChIKeyYVWYJYWCCOIXTN-LKNRODPVSA-N
MW697.79 g/mol
LogP8.15
Rot. Bonds11

About 3-N,5-N-bis[5-[(E)-2-(4-methoxyphenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl]-2,6-dimethyl-4-phenyl-1,4-dihydropyridine-3,5-dicarboxamide

3-N,5-N-bis[5-[(E)-2-(4-methoxyphenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl]-2,6-dimethyl-4-phenyl-1,4-dihydropyridine-3,5-dicarboxamide (PubChem CID 11657690) has the molecular formula C41H39N5O6 and a molecular weight of 697.79 g/mol. Its IUPAC name is 3-N,5-N-bis[5-[(E)-2-(4-methoxyphenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl]-2,6-dimethyl-4-phenyl-1,4-dihydropyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name3-N,5-N-bis[5-[(E)-2-(4-methoxyphenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl]-2,6-dimethyl-4-phenyl-1,4-dihydropyridine-3,5-dicarboxamide
PubChem CID11657690
Molecular FormulaC41H39N5O6
Molecular Weight697.79 g/mol
Exact Mass697.29
IUPAC Name3-N,5-N-bis[5-[(E)-2-(4-methoxyphenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl]-2,6-dimethyl-4-phenyl-1,4-dihydropyridine-3,5-dicarboxamide
SMILESCOc1ccc(/C=C/c2onc(C)c2NC(=O)C2=C(C)NC(C)=C(C(=O)Nc3c(C)noc3/C=C/c3ccc(OC)cc3)C2c2ccccc2)cc1
InChIInChI=1S/C41H39N5O6/c1-24-35(40(47)43-38-26(3)45-51-33(38)22-16-28-12-18-31(49-5)19-13-28)37(30-10-8-7-9-11-30)36(25(2)42-24)41(48)44-39-27(4)46-52-34(39)23-17-29-14-20-32(50-6)21-15-29/h7-23,37,42H,1-6H3,(H,43,47)(H,44,48)/b22-16+,23-17+
InChIKeyYVWYJYWCCOIXTN-LKNRODPVSA-N
XLogP8.15
TPSA140.75 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500697.79
LogP ≤ 58.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 3-N,5-N-bis[5-[(E)-2-(4-methoxyphenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl]-2,6-dimethyl-4-phenyl-1,4-dihydropyridine-3,5-dicarboxamide with MolForge

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Related Compounds

2,6-dimethyl-3-N,5-N-bis[3-methyl-5-[(E)-2-(4-methylphenyl)ethenyl]-1,2-oxazol-4-yl]-4-phenylpyridine-3,5-dicarboxamide
CID 11549225
N-[5-[(Z)-2-[4-[(4-methoxyphenyl)methylsulfamoyl]phenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]acetamide
CID 46394527
5-[(E)-2-(4-methoxyphenyl)ethenyl]-3-methyl-1,2-oxazol-4-amine
CID 102467999
2-[[5-[(E)-2-(4-methoxyphenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl]-phenacylamino]-1-phenylethanone
CID 139226892
N-[5-[(Z)-2-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]cyclopropanecarboxamide
CID 46394638
(4R)-5-methoxycarbonyl-2,6-dimethyl-4-phenyl-1,4-dihydropyridine-3-carboxylic acid
CID 15004146
5-hydroxy-4-(4-methoxyphenyl)-2-methyl-N-phenyl-1,4-dihydroquinoline-3-carboxamide
CID 139228043
5-(iminomethylidene)-4-(4-methoxyphenyl)-2-methyl-N-phenyl-6-sulfanylidene-1,4-dihydropyridine-3-carboxamide
CID 176527269
4-(3-chlorophenyl)-5-[(E)-3-(4-methoxyphenyl)prop-2-enoxy]carbonyl-2,6-dimethyl-1,4-dihydropyridine-3-carboxylic acid
CID 22949276
5-O-(2-methoxyethyl) 3-O-methyl 2,6-dimethyl-4-phenyl-1,4-dihydropyridine-3,5-dicarboxylate
CID 21364275
5-O-tert-butyl 3-O-methyl 4-(4-methoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
CID 46914021
4-(4-chlorophenyl)-2,6-dimethyl-3-N,5-N-diphenyl-1,4-dihydropyridine-3,5-dicarboxamide
CID 991929

Frequently Asked Questions

What is the IUPAC name of 3-N,5-N-bis[5-[(E)-2-(4-methoxyphenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl]-2,6-dimethyl-4-phenyl-1,4-dihydropyridine-3,5-dicarboxamide?
The IUPAC name of 3-N,5-N-bis[5-[(E)-2-(4-methoxyphenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl]-2,6-dimethyl-4-phenyl-1,4-dihydropyridine-3,5-dicarboxamide (CID 11657690) is 3-N,5-N-bis[5-[(E)-2-(4-methoxyphenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl]-2,6-dimethyl-4-phenyl-1,4-dihydropyridine-3,5-dicarboxamide.
What is the SMILES notation for 3-N,5-N-bis[5-[(E)-2-(4-methoxyphenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl]-2,6-dimethyl-4-phenyl-1,4-dihydropyridine-3,5-dicarboxamide?
The canonical SMILES for 3-N,5-N-bis[5-[(E)-2-(4-methoxyphenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl]-2,6-dimethyl-4-phenyl-1,4-dihydropyridine-3,5-dicarboxamide is COc1ccc(/C=C/c2onc(C)c2NC(=O)C2=C(C)NC(C)=C(C(=O)Nc3c(C)noc3/C=C/c3ccc(OC)cc3)C2c2ccccc2)cc1.
What is the InChIKey of 3-N,5-N-bis[5-[(E)-2-(4-methoxyphenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl]-2,6-dimethyl-4-phenyl-1,4-dihydropyridine-3,5-dicarboxamide?
The InChIKey is YVWYJYWCCOIXTN-LKNRODPVSA-N. The full InChI is InChI=1S/C41H39N5O6/c1-24-35(40(47)43-38-26(3)45-51-33(38)22-16-28-12-18-31(49-5)19-13-28)37(30-10-8-7-9-11-30)36(25(2)42-24)41(48)44-39-27(4)46-52-34(39)23-17-29-14-20-32(50-6)21-15-29/h7-23,37,42H,1-6H3,(H,43,47)(H,44,48)/b22-16+,23-17+.
What are the key properties of 3-N,5-N-bis[5-[(E)-2-(4-methoxyphenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl]-2,6-dimethyl-4-phenyl-1,4-dihydropyridine-3,5-dicarboxamide?
3-N,5-N-bis[5-[(E)-2-(4-methoxyphenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl]-2,6-dimethyl-4-phenyl-1,4-dihydropyridine-3,5-dicarboxamide has a molecular weight of 697.79 g/mol, XLogP of 8.15, 11 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,5-N-bis[5-[(E)-2-(4-methoxyphenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl]-2,6-dimethyl-4-phenyl-1,4-dihydropyridine-3,5-dicarboxamide is sourced from PubChem (CID 11657690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).