N-(3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl)pyridine-3-carboxamide

C26H38N2O — CID 54306137

IUPACN-(3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl)pyridine-3-carboxamide
SMILESCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCNC(=O)c1cccnc1
InChIInChI=1S/C26H38N2O/c1-21(2)10-6-11-22(3)12-7-13-23(4)14-8-15-24(5)17-19-28-26(29)25-16-9-18-27-20-25/h9-10,12,14,16-18,20H,6-8,11,13,15,19H2,1-5H3,(H,28,29)
InChIKeySHQKZJYITFOQNQ-UHFFFAOYSA-N
MW394.60 g/mol
LogP6.96
Rot. Bonds12

About N-(3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl)pyridine-3-carboxamide

N-(3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl)pyridine-3-carboxamide (PubChem CID 54306137) has the molecular formula C26H38N2O and a molecular weight of 394.60 g/mol. Its IUPAC name is N-(3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl)pyridine-3-carboxamide
PubChem CID54306137
Molecular FormulaC26H38N2O
Molecular Weight394.60 g/mol
Exact Mass394.30
IUPAC NameN-(3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl)pyridine-3-carboxamide
SMILESCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCNC(=O)c1cccnc1
InChIInChI=1S/C26H38N2O/c1-21(2)10-6-11-22(3)12-7-13-23(4)14-8-15-24(5)17-19-28-26(29)25-16-9-18-27-20-25/h9-10,12,14,16-18,20H,6-8,11,13,15,19H2,1-5H3,(H,28,29)
InChIKeySHQKZJYITFOQNQ-UHFFFAOYSA-N
XLogP6.96
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.60
LogP ≤ 56.96
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

2-pyridin-4-yl-N-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]acetamide
CID 14834790
(2R)-2-acetamido-3-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]sulfanylpropanoic acid;pyridine-3-carboxamide
CID 161346229
N-[(2E)-3,7-dimethylocta-2,6-dienyl]-6-oxo-1H-pyridine-2-carboxamide
CID 91837396
1-(1-pyridin-4-ylethyl)-3-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]urea
CID 22154336
(2E)-3,7-dimethyl-N-(4-phenyl-4-pyridin-3-ylbutyl)octa-2,6-dien-1-amine
CID 164948672
N-[(2E)-3,7-dimethylocta-2,6-dienyl]-N'-[phenyl(pyridin-3-yl)methyl]ethane-1,2-diamine
CID 154963240
N-[(E)-3-methyl-5-phenylpent-2-enyl]benzamide
CID 177309069
N-benzylpyridine-3-carboxamide chloride
CID 21204170
2-methyl-3-(pyridine-3-carbonylamino)propanoic acid
CID 53211442
N,N-bis[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]pyridine-4-carboxamide
CID 14834824
N-[(2S)-2-hydroxypropyl]pyridine-3-carboxamide
CID 39237258
N-methylpyridine-3-carboxamide chloride
CID 20976730

Frequently Asked Questions

What is the IUPAC name of N-(3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl)pyridine-3-carboxamide?
The IUPAC name of N-(3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl)pyridine-3-carboxamide (CID 54306137) is N-(3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl)pyridine-3-carboxamide.
What is the SMILES notation for N-(3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl)pyridine-3-carboxamide?
The canonical SMILES for N-(3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl)pyridine-3-carboxamide is CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCNC(=O)c1cccnc1.
What is the InChIKey of N-(3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl)pyridine-3-carboxamide?
The InChIKey is SHQKZJYITFOQNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H38N2O/c1-21(2)10-6-11-22(3)12-7-13-23(4)14-8-15-24(5)17-19-28-26(29)25-16-9-18-27-20-25/h9-10,12,14,16-18,20H,6-8,11,13,15,19H2,1-5H3,(H,28,29).
What are the key properties of N-(3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl)pyridine-3-carboxamide?
N-(3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl)pyridine-3-carboxamide has a molecular weight of 394.60 g/mol, XLogP of 6.96, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl)pyridine-3-carboxamide is sourced from PubChem (CID 54306137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).