N-[2-(N-[(2E)-2-[[4-(dicyanomethylidene)-6-methylpyran-2-yl]methylidene]-4-methylchromen-7-yl]anilino)ethyl]-2-ethyl-2-methyl-4-[4-[[4-(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)phenoxy]methyl]phenyl]pentanamide

C61H54N6O5 — CID 59913655

About N-[2-(N-[(2E)-2-[[4-(dicyanomethylidene)-6-methylpyran-2-yl]methylidene]-4-methylchromen-7-yl]anilino)ethyl]-2-ethyl-2-methyl-4-[4-[[4-(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)phenoxy]methyl]phenyl]pentanamide

N-[2-(N-[(2E)-2-[[4-(dicyanomethylidene)-6-methylpyran-2-yl]methylidene]-4-methylchromen-7-yl]anilino)ethyl]-2-ethyl-2-methyl-4-[4-[[4-(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)phenoxy]methyl]phenyl]pentanamide (PubChem CID 59913655) has the molecular formula C61H54N6O5 and a molecular weight of 951.14 g/mol. Its IUPAC name is N-[2-(N-[(2E)-2-[[4-(dicyanomethylidene)-6-methylpyran-2-yl]methylidene]-4-methylchromen-7-yl]anilino)ethyl]-2-ethyl-2-methyl-4-[4-[[4-(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)phenoxy]methyl]phenyl]pentanamide.

Molecular Properties

• Compound Name: N-[2-(N-[(2E)-2-[[4-(dicyanomethylidene)-6-methylpyran-2-yl]methylidene]-4-methylchromen-7-yl]anilino)ethyl]-2-ethyl-2-methyl-4-[4-[[4-(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)phenoxy]methyl]phenyl]pentanamide
• PubChem CID: 59913655
• Molecular Formula: C61H54N6O5
• Molecular Weight: 951.14 g/mol
• Exact Mass: 950.42
• IUPAC Name: N-[2-(N-[(2E)-2-[[4-(dicyanomethylidene)-6-methylpyran-2-yl]methylidene]-4-methylchromen-7-yl]anilino)ethyl]-2-ethyl-2-methyl-4-[4-[[4-(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)phenoxy]methyl]phenyl]pentanamide
• SMILES: CCC(C)(CC(C)c1ccc(COc2ccc(-c3nnc(-c4cccc5ccccc45)o3)cc2)cc1)C(=O)NCCN(c1ccccc1)c1ccc2c(c1)O/C(=C/C1=CC(=C(C#N)C#N)C=C(C)O1)C=C2C
• InChI: InChI=1S/C61H54N6O5/c1-6-61(5,36-41(3)44-21-19-43(20-22-44)39-69-51-26-23-46(24-27-51)58-65-66-59(72-58)56-18-12-14-45-13-10-11-17-55(45)56)60(68)64-29-30-67(49-15-8-7-9-16-49)50-25-28-54-40(2)31-52(71-57(54)34-50)35-53-33-47(32-42(4)70-53)48(37-62)38-63/h7-28,31-35,41H,6,29-30,36,39H2,1-5H3,(H,64,68)/b52-35+
• InChIKey: HOLPVFLZDAVSHS-RERHWPFLSA-N
• XLogP: 13.84
• TPSA: 146.53 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 16
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	951.14
LogP ≤ 5	13.84
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[2-(N-[(2E)-2-[[4-(dicyanomethylidene)-6-methylpyran-2-yl]methylidene]-4-methylchromen-7-yl]anilino)ethyl]-2-ethyl-2-methyl-4-[4-[[4-(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)phenoxy]methyl]phenyl]pentanamide?

The IUPAC name of N-[2-(N-[(2E)-2-[[4-(dicyanomethylidene)-6-methylpyran-2-yl]methylidene]-4-methylchromen-7-yl]anilino)ethyl]-2-ethyl-2-methyl-4-[4-[[4-(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)phenoxy]methyl]phenyl]pentanamide (CID 59913655) is N-[2-(N-[(2E)-2-[[4-(dicyanomethylidene)-6-methylpyran-2-yl]methylidene]-4-methylchromen-7-yl]anilino)ethyl]-2-ethyl-2-methyl-4-[4-[[4-(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)phenoxy]methyl]phenyl]pentanamide.

What is the SMILES notation for N-[2-(N-[(2E)-2-[[4-(dicyanomethylidene)-6-methylpyran-2-yl]methylidene]-4-methylchromen-7-yl]anilino)ethyl]-2-ethyl-2-methyl-4-[4-[[4-(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)phenoxy]methyl]phenyl]pentanamide?

The canonical SMILES for N-[2-(N-[(2E)-2-[[4-(dicyanomethylidene)-6-methylpyran-2-yl]methylidene]-4-methylchromen-7-yl]anilino)ethyl]-2-ethyl-2-methyl-4-[4-[[4-(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)phenoxy]methyl]phenyl]pentanamide is CCC(C)(CC(C)c1ccc(COc2ccc(-c3nnc(-c4cccc5ccccc45)o3)cc2)cc1)C(=O)NCCN(c1ccccc1)c1ccc2c(c1)O/C(=C/C1=CC(=C(C#N)C#N)C=C(C)O1)C=C2C.

What is the InChIKey of N-[2-(N-[(2E)-2-[[4-(dicyanomethylidene)-6-methylpyran-2-yl]methylidene]-4-methylchromen-7-yl]anilino)ethyl]-2-ethyl-2-methyl-4-[4-[[4-(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)phenoxy]methyl]phenyl]pentanamide?

The InChIKey is HOLPVFLZDAVSHS-RERHWPFLSA-N. The full InChI is InChI=1S/C61H54N6O5/c1-6-61(5,36-41(3)44-21-19-43(20-22-44)39-69-51-26-23-46(24-27-51)58-65-66-59(72-58)56-18-12-14-45-13-10-11-17-55(45)56)60(68)64-29-30-67(49-15-8-7-9-16-49)50-25-28-54-40(2)31-52(71-57(54)34-50)35-53-33-47(32-42(4)70-53)48(37-62)38-63/h7-28,31-35,41H,6,29-30,36,39H2,1-5H3,(H,64,68)/b52-35+.

What are the key properties of N-[2-(N-[(2E)-2-[[4-(dicyanomethylidene)-6-methylpyran-2-yl]methylidene]-4-methylchromen-7-yl]anilino)ethyl]-2-ethyl-2-methyl-4-[4-[[4-(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)phenoxy]methyl]phenyl]pentanamide?

N-[2-(N-[(2E)-2-[[4-(dicyanomethylidene)-6-methylpyran-2-yl]methylidene]-4-methylchromen-7-yl]anilino)ethyl]-2-ethyl-2-methyl-4-[4-[[4-(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)phenoxy]methyl]phenyl]pentanamide has a molecular weight of 951.14 g/mol, XLogP of 13.84, 16 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(N-[(2E)-2-[[4-(dicyanomethylidene)-6-methylpyran-2-yl]methylidene]-4-methylchromen-7-yl]anilino)ethyl]-2-ethyl-2-methyl-4-[4-[[4-(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)phenoxy]methyl]phenyl]pentanamide is sourced from PubChem (CID 59913655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).