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

C41H37N5O4 — CID 11549225

IUPAC2,6-dimethyl-3-N,5-N-bis[3-methyl-5-[(E)-2-(4-methylphenyl)ethenyl]-1,2-oxazol-4-yl]-4-phenylpyridine-3,5-dicarboxamide
SMILESCc1ccc(/C=C/c2onc(C)c2NC(=O)c2c(C)nc(C)c(C(=O)Nc3c(C)noc3/C=C/c3ccc(C)cc3)c2-c2ccccc2)cc1
InChIInChI=1S/C41H37N5O4/c1-24-12-16-30(17-13-24)20-22-33-38(28(5)45-49-33)43-40(47)35-26(3)42-27(4)36(37(35)32-10-8-7-9-11-32)41(48)44-39-29(6)46-50-34(39)23-21-31-18-14-25(2)15-19-31/h7-23H,1-6H3,(H,43,47)(H,44,48)/b22-20+,23-21+
InChIKeyABQULVJZRRWMOO-DQPVQCHKSA-N
MW663.78 g/mol
LogP9.42
Rot. Bonds9

About 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

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 (PubChem CID 11549225) has the molecular formula C41H37N5O4 and a molecular weight of 663.78 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2,6-dimethyl-3-N,5-N-bis[3-methyl-5-[(E)-2-(4-methylphenyl)ethenyl]-1,2-oxazol-4-yl]-4-phenylpyridine-3,5-dicarboxamide
PubChem CID11549225
Molecular FormulaC41H37N5O4
Molecular Weight663.78 g/mol
Exact Mass663.28
IUPAC Name2,6-dimethyl-3-N,5-N-bis[3-methyl-5-[(E)-2-(4-methylphenyl)ethenyl]-1,2-oxazol-4-yl]-4-phenylpyridine-3,5-dicarboxamide
SMILESCc1ccc(/C=C/c2onc(C)c2NC(=O)c2c(C)nc(C)c(C(=O)Nc3c(C)noc3/C=C/c3ccc(C)cc3)c2-c2ccccc2)cc1
InChIInChI=1S/C41H37N5O4/c1-24-12-16-30(17-13-24)20-22-33-38(28(5)45-49-33)43-40(47)35-26(3)42-27(4)36(37(35)32-10-8-7-9-11-32)41(48)44-39-29(6)46-50-34(39)23-21-31-18-14-25(2)15-19-31/h7-23H,1-6H3,(H,43,47)(H,44,48)/b22-20+,23-21+
InChIKeyABQULVJZRRWMOO-DQPVQCHKSA-N
XLogP9.42
TPSA123.15 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500663.78
LogP ≤ 59.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

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
N-[5-[(E)-2-(4-chlorophenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl]acetamide
CID 102083078
11-amino-N-[3-methyl-5-[(E)-2-phenylethenyl]-1,2-oxazol-4-yl]-15-phenyl-8-oxa-10,14-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene-12-carboxamide
CID 139221124
N-[5-[(Z)-2-[4-(benzylsulfamoyl)phenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]acetamide
CID 46394574
11-amino-15-(2-chlorophenyl)-N-[3-methyl-5-[(E)-2-phenylethenyl]-1,2-oxazol-4-yl]-8-oxa-10,14-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene-12-carboxamide
CID 139221125
benzyl N-[(2R,3R)-3-methyl-1-[[3-methyl-5-[(E)-2-phenylethenyl]-1,2-oxazol-4-yl]amino]-1-oxopentan-2-yl]carbamate
CID 24874443
N-[3-methyl-5-[(Z)-2-[4-(3-phenylpropylsulfamoyl)phenyl]ethenyl]-1,2-oxazol-4-yl]propanamide
CID 50838994
N-[3-methyl-5-[(Z)-2-[4-(2-phenylpropylsulfamoyl)phenyl]ethenyl]-1,2-oxazol-4-yl]cyclopropanecarboxamide
CID 46394661
N-[5-[(Z)-2-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]acetamide
CID 46394539
N-[5-[(Z)-2-[4-[(3,5-dimethylphenyl)sulfamoyl]phenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]propanamide
CID 50839324
2,5-bis(4-methylphenyl)-3-N,4-N-diphenylfuran-3,4-dicarboxamide
CID 10576901
N-(3-methyl-4-phenyl-1,2-oxazol-5-yl)acetamide
CID 14174108

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1ccc(/C=C/c2onc(C)c2NC(=O)c2c(C)nc(C)c(C(=O)Nc3c(C)noc3/C=C/c3ccc(C)cc3)c2-c2ccccc2)cc1.
What is the InChIKey of 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?
The InChIKey is ABQULVJZRRWMOO-DQPVQCHKSA-N. The full InChI is InChI=1S/C41H37N5O4/c1-24-12-16-30(17-13-24)20-22-33-38(28(5)45-49-33)43-40(47)35-26(3)42-27(4)36(37(35)32-10-8-7-9-11-32)41(48)44-39-29(6)46-50-34(39)23-21-31-18-14-25(2)15-19-31/h7-23H,1-6H3,(H,43,47)(H,44,48)/b22-20+,23-21+.
What are the key properties of 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?
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 has a molecular weight of 663.78 g/mol, XLogP of 9.42, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 11549225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).