N-octadecylpyridine-3-carboxamide

C24H42N2O — CID 3547337

IUPACN-octadecylpyridine-3-carboxamide
SMILESCCCCCCCCCCCCCCCCCCNC(=O)c1cccnc1
InChIInChI=1S/C24H42N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-26-24(27)23-19-18-20-25-22-23/h18-20,22H,2-17,21H2,1H3,(H,26,27)
InChIKeyQORNMLOFKLDGCR-UHFFFAOYSA-N
MW374.61 g/mol
LogP7.07
Rot. Bonds18

About N-octadecylpyridine-3-carboxamide

N-octadecylpyridine-3-carboxamide (PubChem CID 3547337) has the molecular formula C24H42N2O and a molecular weight of 374.61 g/mol. Its IUPAC name is N-octadecylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-octadecylpyridine-3-carboxamide
PubChem CID3547337
Molecular FormulaC24H42N2O
Molecular Weight374.61 g/mol
Exact Mass374.33
IUPAC NameN-octadecylpyridine-3-carboxamide
SMILESCCCCCCCCCCCCCCCCCCNC(=O)c1cccnc1
InChIInChI=1S/C24H42N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-26-24(27)23-19-18-20-25-22-23/h18-20,22H,2-17,21H2,1H3,(H,26,27)
InChIKeyQORNMLOFKLDGCR-UHFFFAOYSA-N
XLogP7.07
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.61
LogP ≤ 57.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(hexadecanoylamino)ethyl]pyridine-3-carboxamide
CID 146558338
N-(5-iodopentyl)pyridine-3-carboxamide
CID 107322434
N-[8-(pyridine-3-carbonylamino)octyl]pyridine-3-carboxamide;1,1,2,2-tetrafluoro-1,2-diiodoethane
CID 139199292
N-[5-(4-ethylpiperazin-1-yl)pentyl]pyridine-3-carboxamide
CID 110442851
N-(3-chloropropyl)pyridine-3-carboxamide
CID 17164667
N-hexylpyridine-4-carboxamide
CID 3423732
N-(4-pyridin-3-ylbutyl)pyridine-3-carboxamide
CID 110661295
triphenyl-[5-(pyridine-3-carbonylamino)pentyl]phosphanium
CID 169012759
N-pentylpyridine-4-carboxamide
CID 2307296
4-(pyridine-3-carbonylamino)butanoate
CID 4586549
N'-decanoylpyridine-3-carbohydrazide
CID 132992060
N-[3-[(3-methylbenzoyl)amino]propyl]pyridine-3-carboxamide
CID 2985562

Frequently Asked Questions

What is the IUPAC name of N-octadecylpyridine-3-carboxamide?
The IUPAC name of N-octadecylpyridine-3-carboxamide (CID 3547337) is N-octadecylpyridine-3-carboxamide.
What is the SMILES notation for N-octadecylpyridine-3-carboxamide?
The canonical SMILES for N-octadecylpyridine-3-carboxamide is CCCCCCCCCCCCCCCCCCNC(=O)c1cccnc1.
What is the InChIKey of N-octadecylpyridine-3-carboxamide?
The InChIKey is QORNMLOFKLDGCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H42N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-26-24(27)23-19-18-20-25-22-23/h18-20,22H,2-17,21H2,1H3,(H,26,27).
What are the key properties of N-octadecylpyridine-3-carboxamide?
N-octadecylpyridine-3-carboxamide has a molecular weight of 374.61 g/mol, XLogP of 7.07, 18 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-octadecylpyridine-3-carboxamide is sourced from PubChem (CID 3547337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).