5-ethenyl-N-[3-[3-[2-(5-ethenyl-4-methoxy-2-pyridinyl)-2-oxoethyl]-2-methylphenyl]-2-methylphenyl]-4-methoxypyridine-2-carboxamide;5-formyl-N-[3-[3-[2-(5-formyl-4-methoxy-2-pyridinyl)-2-oxoethyl]-2-methylphenyl]-2-methylphenyl]-4-methoxypyridine-2-carboxamide

C64H58N6O10 — CID 158412471

IUPAC5-ethenyl-N-[3-[3-[2-(5-ethenyl-4-methoxy-2-pyridinyl)-2-oxoethyl]-2-methylphenyl]-2-methylphenyl]-4-methoxypyridine-2-carboxamide;5-formyl-N-[3-[3-[2-(5-formyl-4-methoxy-2-pyridinyl)-2-oxoethyl]-2-methylphenyl]-2-methylphenyl]-4-methoxypyridine-2-carboxamide
SMILESC=Cc1cnc(C(=O)Cc2cccc(-c3cccc(NC(=O)c4cc(OC)c(C=C)cn4)c3C)c2C)cc1OC.COc1cc(C(=O)Cc2cccc(-c3cccc(NC(=O)c4cc(OC)c(C=O)cn4)c3C)c2C)ncc1C=O
InChIInChI=1S/C33H31N3O4.C31H27N3O6/c1-7-22-18-34-28(16-31(22)39-5)30(37)15-24-11-9-12-25(20(24)3)26-13-10-14-27(21(26)4)36-33(38)29-17-32(40-6)23(8-2)19-35-29;1-18-20(11-28(37)26-12-29(39-3)21(16-35)14-32-26)7-5-8-23(18)24-9-6-10-25(19(24)2)34-31(38)27-13-30(40-4)22(17-36)15-33-27/h7-14,16-19H,1-2,15H2,3-6H3,(H,36,38);5-10,12-17H,11H2,1-4H3,(H,34,38)
InChIKeyGZMCWXXQEQGYKO-UHFFFAOYSA-N
MW1071.20 g/mol
LogP11.82
Rot. Bonds20

About 5-ethenyl-N-[3-[3-[2-(5-ethenyl-4-methoxy-2-pyridinyl)-2-oxoethyl]-2-methylphenyl]-2-methylphenyl]-4-methoxypyridine-2-carboxamide;5-formyl-N-[3-[3-[2-(5-formyl-4-methoxy-2-pyridinyl)-2-oxoethyl]-2-methylphenyl]-2-methylphenyl]-4-methoxypyridine-2-carboxamide

5-ethenyl-N-[3-[3-[2-(5-ethenyl-4-methoxy-2-pyridinyl)-2-oxoethyl]-2-methylphenyl]-2-methylphenyl]-4-methoxypyridine-2-carboxamide;5-formyl-N-[3-[3-[2-(5-formyl-4-methoxy-2-pyridinyl)-2-oxoethyl]-2-methylphenyl]-2-methylphenyl]-4-methoxypyridine-2-carboxamide (PubChem CID 158412471) has the molecular formula C64H58N6O10 and a molecular weight of 1071.20 g/mol. Its IUPAC name is 5-ethenyl-N-[3-[3-[2-(5-ethenyl-4-methoxy-2-pyridinyl)-2-oxoethyl]-2-methylphenyl]-2-methylphenyl]-4-methoxypyridine-2-carboxamide;5-formyl-N-[3-[3-[2-(5-formyl-4-methoxy-2-pyridinyl)-2-oxoethyl]-2-methylphenyl]-2-methylphenyl]-4-methoxypyridine-2-carboxamide.

Molecular Properties

Compound Name5-ethenyl-N-[3-[3-[2-(5-ethenyl-4-methoxy-2-pyridinyl)-2-oxoethyl]-2-methylphenyl]-2-methylphenyl]-4-methoxypyridine-2-carboxamide;5-formyl-N-[3-[3-[2-(5-formyl-4-methoxy-2-pyridinyl)-2-oxoethyl]-2-methylphenyl]-2-methylphenyl]-4-methoxypyridine-2-carboxamide
PubChem CID158412471
Molecular FormulaC64H58N6O10
Molecular Weight1071.20 g/mol
Exact Mass1070.42
IUPAC Name5-ethenyl-N-[3-[3-[2-(5-ethenyl-4-methoxy-2-pyridinyl)-2-oxoethyl]-2-methylphenyl]-2-methylphenyl]-4-methoxypyridine-2-carboxamide;5-formyl-N-[3-[3-[2-(5-formyl-4-methoxy-2-pyridinyl)-2-oxoethyl]-2-methylphenyl]-2-methylphenyl]-4-methoxypyridine-2-carboxamide
SMILESC=Cc1cnc(C(=O)Cc2cccc(-c3cccc(NC(=O)c4cc(OC)c(C=C)cn4)c3C)c2C)cc1OC.COc1cc(C(=O)Cc2cccc(-c3cccc(NC(=O)c4cc(OC)c(C=O)cn4)c3C)c2C)ncc1C=O
InChIInChI=1S/C33H31N3O4.C31H27N3O6/c1-7-22-18-34-28(16-31(22)39-5)30(37)15-24-11-9-12-25(20(24)3)26-13-10-14-27(21(26)4)36-33(38)29-17-32(40-6)23(8-2)19-35-29;1-18-20(11-28(37)26-12-29(39-3)21(16-35)14-32-26)7-5-8-23(18)24-9-6-10-25(19(24)2)34-31(38)27-13-30(40-4)22(17-36)15-33-27/h7-14,16-19H,1-2,15H2,3-6H3,(H,36,38);5-10,12-17H,11H2,1-4H3,(H,34,38)
InChIKeyGZMCWXXQEQGYKO-UHFFFAOYSA-N
XLogP11.82
TPSA214.96 Ų
H-Bond Donors2
H-Bond Acceptors14
Rotatable Bonds20
Heavy Atoms80
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001071.20
LogP ≤ 511.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 5-ethenyl-N-[3-[3-[2-(5-ethenyl-4-methoxy-2-pyridinyl)-2-oxoethyl]-2-methylphenyl]-2-methylphenyl]-4-methoxypyridine-2-carboxamide;5-formyl-N-[3-[3-[2-(5-formyl-4-methoxy-2-pyridinyl)-2-oxoethyl]-2-methylphenyl]-2-methylphenyl]-4-methoxypyridine-2-carboxamide with MolForge

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Related Compounds

US11459339, Example 85
CID 139375115
US11459339, Example 65
CID 139375246
US11459339, Example 39
CID 139375330
US11459339, Example 63
CID 139375341
US11459339, Example 34
CID 153331952
US11459339, Example 31
CID 153331961
US11459339, Example 32
CID 155384974
US11459339, Example 36
CID 155384988
US11459339, Example 49
CID 155384999
US11459339, Example 84
CID 139375117
US11459339, Example 64
CID 139375251
N-[3-[3-[(Z)-2-fluoro-2-(4-formyl-3,5-dimethoxyphenyl)ethenyl]-2-methylphenyl]-2-methylphenyl]-5-formyl-4-methoxypyridine-2-carboxamide
CID 146301227

Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-N-[3-[3-[2-(5-ethenyl-4-methoxy-2-pyridinyl)-2-oxoethyl]-2-methylphenyl]-2-methylphenyl]-4-methoxypyridine-2-carboxamide;5-formyl-N-[3-[3-[2-(5-formyl-4-methoxy-2-pyridinyl)-2-oxoethyl]-2-methylphenyl]-2-methylphenyl]-4-methoxypyridine-2-carboxamide?
The IUPAC name of 5-ethenyl-N-[3-[3-[2-(5-ethenyl-4-methoxy-2-pyridinyl)-2-oxoethyl]-2-methylphenyl]-2-methylphenyl]-4-methoxypyridine-2-carboxamide;5-formyl-N-[3-[3-[2-(5-formyl-4-methoxy-2-pyridinyl)-2-oxoethyl]-2-methylphenyl]-2-methylphenyl]-4-methoxypyridine-2-carboxamide (CID 158412471) is 5-ethenyl-N-[3-[3-[2-(5-ethenyl-4-methoxy-2-pyridinyl)-2-oxoethyl]-2-methylphenyl]-2-methylphenyl]-4-methoxypyridine-2-carboxamide;5-formyl-N-[3-[3-[2-(5-formyl-4-methoxy-2-pyridinyl)-2-oxoethyl]-2-methylphenyl]-2-methylphenyl]-4-methoxypyridine-2-carboxamide.
What is the SMILES notation for 5-ethenyl-N-[3-[3-[2-(5-ethenyl-4-methoxy-2-pyridinyl)-2-oxoethyl]-2-methylphenyl]-2-methylphenyl]-4-methoxypyridine-2-carboxamide;5-formyl-N-[3-[3-[2-(5-formyl-4-methoxy-2-pyridinyl)-2-oxoethyl]-2-methylphenyl]-2-methylphenyl]-4-methoxypyridine-2-carboxamide?
The canonical SMILES for 5-ethenyl-N-[3-[3-[2-(5-ethenyl-4-methoxy-2-pyridinyl)-2-oxoethyl]-2-methylphenyl]-2-methylphenyl]-4-methoxypyridine-2-carboxamide;5-formyl-N-[3-[3-[2-(5-formyl-4-methoxy-2-pyridinyl)-2-oxoethyl]-2-methylphenyl]-2-methylphenyl]-4-methoxypyridine-2-carboxamide is C=Cc1cnc(C(=O)Cc2cccc(-c3cccc(NC(=O)c4cc(OC)c(C=C)cn4)c3C)c2C)cc1OC.COc1cc(C(=O)Cc2cccc(-c3cccc(NC(=O)c4cc(OC)c(C=O)cn4)c3C)c2C)ncc1C=O.
What is the InChIKey of 5-ethenyl-N-[3-[3-[2-(5-ethenyl-4-methoxy-2-pyridinyl)-2-oxoethyl]-2-methylphenyl]-2-methylphenyl]-4-methoxypyridine-2-carboxamide;5-formyl-N-[3-[3-[2-(5-formyl-4-methoxy-2-pyridinyl)-2-oxoethyl]-2-methylphenyl]-2-methylphenyl]-4-methoxypyridine-2-carboxamide?
The InChIKey is GZMCWXXQEQGYKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H31N3O4.C31H27N3O6/c1-7-22-18-34-28(16-31(22)39-5)30(37)15-24-11-9-12-25(20(24)3)26-13-10-14-27(21(26)4)36-33(38)29-17-32(40-6)23(8-2)19-35-29;1-18-20(11-28(37)26-12-29(39-3)21(16-35)14-32-26)7-5-8-23(18)24-9-6-10-25(19(24)2)34-31(38)27-13-30(40-4)22(17-36)15-33-27/h7-14,16-19H,1-2,15H2,3-6H3,(H,36,38);5-10,12-17H,11H2,1-4H3,(H,34,38).
What are the key properties of 5-ethenyl-N-[3-[3-[2-(5-ethenyl-4-methoxy-2-pyridinyl)-2-oxoethyl]-2-methylphenyl]-2-methylphenyl]-4-methoxypyridine-2-carboxamide;5-formyl-N-[3-[3-[2-(5-formyl-4-methoxy-2-pyridinyl)-2-oxoethyl]-2-methylphenyl]-2-methylphenyl]-4-methoxypyridine-2-carboxamide?
5-ethenyl-N-[3-[3-[2-(5-ethenyl-4-methoxy-2-pyridinyl)-2-oxoethyl]-2-methylphenyl]-2-methylphenyl]-4-methoxypyridine-2-carboxamide;5-formyl-N-[3-[3-[2-(5-formyl-4-methoxy-2-pyridinyl)-2-oxoethyl]-2-methylphenyl]-2-methylphenyl]-4-methoxypyridine-2-carboxamide has a molecular weight of 1071.20 g/mol, XLogP of 11.82, 20 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-N-[3-[3-[2-(5-ethenyl-4-methoxy-2-pyridinyl)-2-oxoethyl]-2-methylphenyl]-2-methylphenyl]-4-methoxypyridine-2-carboxamide;5-formyl-N-[3-[3-[2-(5-formyl-4-methoxy-2-pyridinyl)-2-oxoethyl]-2-methylphenyl]-2-methylphenyl]-4-methoxypyridine-2-carboxamide is sourced from PubChem (CID 158412471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).