N,N-bis[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]pyridine-4-carboxamide

C46H70N2O — CID 14834824

IUPACN,N-bis[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]pyridine-4-carboxamide
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CN(C/C=C(\C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C)C(=O)c1ccncc1
InChIInChI=1S/C46H70N2O/c1-37(2)17-11-19-39(5)21-13-23-41(7)25-15-27-43(9)31-35-48(46(49)45-29-33-47-34-30-45)36-32-44(10)28-16-26-42(8)24-14-22-40(6)20-12-18-38(3)4/h17-18,21-22,25-26,29-34H,11-16,19-20,23-24,27-28,35-36H2,1-10H3/b39-21+,40-22+,41-25+,42-26+,43-31+,44-32+
InChIKeyIHSGOTGVFINVMV-MVKDNPEWSA-N
MW667.08 g/mol
LogP13.82
Rot. Bonds23

About N,N-bis[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]pyridine-4-carboxamide

N,N-bis[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]pyridine-4-carboxamide (PubChem CID 14834824) has the molecular formula C46H70N2O and a molecular weight of 667.08 g/mol. Its IUPAC name is N,N-bis[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN,N-bis[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]pyridine-4-carboxamide
PubChem CID14834824
Molecular FormulaC46H70N2O
Molecular Weight667.08 g/mol
Exact Mass666.55
IUPAC NameN,N-bis[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]pyridine-4-carboxamide
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CN(C/C=C(\C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C)C(=O)c1ccncc1
InChIInChI=1S/C46H70N2O/c1-37(2)17-11-19-39(5)21-13-23-41(7)25-15-27-43(9)31-35-48(46(49)45-29-33-47-34-30-45)36-32-44(10)28-16-26-42(8)24-14-22-40(6)20-12-18-38(3)4/h17-18,21-22,25-26,29-34H,11-16,19-20,23-24,27-28,35-36H2,1-10H3/b39-21+,40-22+,41-25+,42-26+,43-31+,44-32+
InChIKeyIHSGOTGVFINVMV-MVKDNPEWSA-N
XLogP13.82
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds23
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500667.08
LogP ≤ 513.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N,N-bis[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]pyridine-4-carboxamide with MolForge

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Related Compounds

2-pyridin-4-yl-N-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]acetamide
CID 14834790
1-(1-pyridin-4-ylethyl)-3-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]urea
CID 22154336
N-(3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl)pyridine-3-carboxamide
CID 54306137
(5E,9E)-2,6,10,14-tetramethylpentadeca-1,5,9,13-tetraene
CID 11758910
2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 173324782
N-(3,7-dimethylocta-2,6-dienyl)-3-methyl-N-prop-2-enylbut-2-enamide
CID 76600230
carbon dioxide;(6E,10E,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 174737986
N'-[(E)-3-[4-[(2E)-3,7-dimethylocta-2,6-dienoxy]phenyl]prop-2-enoyl]pyridine-4-carbohydrazide
CID 51350003
2,6-dimethylnona-2,6-diene;pyridine
CID 174610966
ethyl 3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-octaenoate
CID 57102795
ethyl (2E,6E,10E,14E)-3,7,11,15,19-pentamethylicosa-2,6,10,14,18-pentaenoate
CID 53482566
methyl 4-ethoxy-3-[propyl-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]amino]benzoate
CID 143619250

Frequently Asked Questions

What is the IUPAC name of N,N-bis[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]pyridine-4-carboxamide?
The IUPAC name of N,N-bis[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]pyridine-4-carboxamide (CID 14834824) is N,N-bis[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]pyridine-4-carboxamide.
What is the SMILES notation for N,N-bis[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]pyridine-4-carboxamide?
The canonical SMILES for N,N-bis[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]pyridine-4-carboxamide is CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CN(C/C=C(\C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C)C(=O)c1ccncc1.
What is the InChIKey of N,N-bis[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]pyridine-4-carboxamide?
The InChIKey is IHSGOTGVFINVMV-MVKDNPEWSA-N. The full InChI is InChI=1S/C46H70N2O/c1-37(2)17-11-19-39(5)21-13-23-41(7)25-15-27-43(9)31-35-48(46(49)45-29-33-47-34-30-45)36-32-44(10)28-16-26-42(8)24-14-22-40(6)20-12-18-38(3)4/h17-18,21-22,25-26,29-34H,11-16,19-20,23-24,27-28,35-36H2,1-10H3/b39-21+,40-22+,41-25+,42-26+,43-31+,44-32+.
What are the key properties of N,N-bis[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]pyridine-4-carboxamide?
N,N-bis[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]pyridine-4-carboxamide has a molecular weight of 667.08 g/mol, XLogP of 13.82, 23 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]pyridine-4-carboxamide is sourced from PubChem (CID 14834824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).