2-pyridin-4-yl-N-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]acetamide

C27H40N2O — CID 14834790

IUPAC2-pyridin-4-yl-N-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]acetamide
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CNC(=O)Cc1ccncc1
InChIInChI=1S/C27H40N2O/c1-22(2)9-6-10-23(3)11-7-12-24(4)13-8-14-25(5)15-20-29-27(30)21-26-16-18-28-19-17-26/h9,11,13,15-19H,6-8,10,12,14,20-21H2,1-5H3,(H,29,30)/b23-11+,24-13+,25-15+
InChIKeyANPYIKKOKQHEBX-NHPINGLRSA-N
MW408.63 g/mol
LogP6.89
Rot. Bonds13

About 2-pyridin-4-yl-N-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]acetamide

2-pyridin-4-yl-N-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]acetamide (PubChem CID 14834790) has the molecular formula C27H40N2O and a molecular weight of 408.63 g/mol. Its IUPAC name is 2-pyridin-4-yl-N-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]acetamide.

Molecular Properties

Compound Name2-pyridin-4-yl-N-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]acetamide
PubChem CID14834790
Molecular FormulaC27H40N2O
Molecular Weight408.63 g/mol
Exact Mass408.31
IUPAC Name2-pyridin-4-yl-N-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]acetamide
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CNC(=O)Cc1ccncc1
InChIInChI=1S/C27H40N2O/c1-22(2)9-6-10-23(3)11-7-12-24(4)13-8-14-25(5)15-20-29-27(30)21-26-16-18-28-19-17-26/h9,11,13,15-19H,6-8,10,12,14,20-21H2,1-5H3,(H,29,30)/b23-11+,24-13+,25-15+
InChIKeyANPYIKKOKQHEBX-NHPINGLRSA-N
XLogP6.89
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.63
LogP ≤ 56.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(1-pyridin-4-ylethyl)-3-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]urea
CID 22154336
N-[(2E)-3,7-dimethylocta-2,6-dienyl]butanamide
CID 59793391
N,N-bis[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]pyridine-4-carboxamide
CID 14834824
N,N'-bis[(2E)-3,7-dimethylocta-2,6-dienyl]oxamide
CID 59266741
N-[(2E)-3,7-dimethylocta-2,6-dienyl]-3-(1H-indol-3-yl)propanamide
CID 70154649
N-[(2E)-3,7-dimethylocta-2,6-dienyl]-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide
CID 136930441
methyl N-[(2E)-3,7-dimethylocta-2,6-dienyl]carbamate
CID 10656136
N-[(2E)-3,7-dimethylocta-2,6-dienyl]-6-oxo-1H-pyridine-2-carboxamide
CID 91837396
(2S)-2-amino-N-[(2E)-3,7-dimethylocta-2,6-dienyl]-3-(4-hydroxyphenyl)propanamide
CID 67134874
(4E,8E,12E,16E)-5,9,13,17,21-pentamethyldocosa-4,8,12,16,20-pentaenoic acid
CID 102141695
N-(2,3-dimethylbutyl)-2-pyridin-4-ylacetamide
CID 122136270
N-(2-methylpropyl)-2-pyridin-4-ylacetamide
CID 78975326

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-4-yl-N-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]acetamide?
The IUPAC name of 2-pyridin-4-yl-N-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]acetamide (CID 14834790) is 2-pyridin-4-yl-N-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]acetamide.
What is the SMILES notation for 2-pyridin-4-yl-N-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]acetamide?
The canonical SMILES for 2-pyridin-4-yl-N-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]acetamide is CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CNC(=O)Cc1ccncc1.
What is the InChIKey of 2-pyridin-4-yl-N-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]acetamide?
The InChIKey is ANPYIKKOKQHEBX-NHPINGLRSA-N. The full InChI is InChI=1S/C27H40N2O/c1-22(2)9-6-10-23(3)11-7-12-24(4)13-8-14-25(5)15-20-29-27(30)21-26-16-18-28-19-17-26/h9,11,13,15-19H,6-8,10,12,14,20-21H2,1-5H3,(H,29,30)/b23-11+,24-13+,25-15+.
What are the key properties of 2-pyridin-4-yl-N-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]acetamide?
2-pyridin-4-yl-N-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]acetamide has a molecular weight of 408.63 g/mol, XLogP of 6.89, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-4-yl-N-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]acetamide is sourced from PubChem (CID 14834790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).