N-[2-(hexadecanoylamino)ethyl]pyridine-3-carboxamide

C24H41N3O2 — CID 146558338

IUPACN-[2-(hexadecanoylamino)ethyl]pyridine-3-carboxamide
SMILESCCCCCCCCCCCCCCCC(=O)NCCNC(=O)c1cccnc1
InChIInChI=1S/C24H41N3O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-23(28)26-19-20-27-24(29)22-16-15-18-25-21-22/h15-16,18,21H,2-14,17,19-20H2,1H3,(H,26,28)(H,27,29)
InChIKeyJOHXPHPYJPJMTI-UHFFFAOYSA-N
MW403.61 g/mol
LogP5.41
Rot. Bonds18

About N-[2-(hexadecanoylamino)ethyl]pyridine-3-carboxamide

N-[2-(hexadecanoylamino)ethyl]pyridine-3-carboxamide (PubChem CID 146558338) has the molecular formula C24H41N3O2 and a molecular weight of 403.61 g/mol. Its IUPAC name is N-[2-(hexadecanoylamino)ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(hexadecanoylamino)ethyl]pyridine-3-carboxamide
PubChem CID146558338
Molecular FormulaC24H41N3O2
Molecular Weight403.61 g/mol
Exact Mass403.32
IUPAC NameN-[2-(hexadecanoylamino)ethyl]pyridine-3-carboxamide
SMILESCCCCCCCCCCCCCCCC(=O)NCCNC(=O)c1cccnc1
InChIInChI=1S/C24H41N3O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-23(28)26-19-20-27-24(29)22-16-15-18-25-21-22/h15-16,18,21H,2-14,17,19-20H2,1H3,(H,26,28)(H,27,29)
InChIKeyJOHXPHPYJPJMTI-UHFFFAOYSA-N
XLogP5.41
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.61
LogP ≤ 55.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-octadecylpyridine-3-carboxamide
CID 3547337
N'-decanoylpyridine-3-carbohydrazide
CID 132992060
N'-dodecanoylpyridine-3-carbohydrazide
CID 171977470
N-[4-(icosa-5,8,11,14,17-pentaenoylamino)butyl]pyridine-3-carboxamide
CID 123426220
N-[4-[2-(hexanoylamino)ethyl]phenyl]sulfonylpyridine-3-carboxamide
CID 70214048
1-pyridin-3-ylundecan-1-one
CID 19756112
N-[3-(pyridin-3-ylmethylamino)propyl]octanamide
CID 43600563
N-[2-(7,7,9-triphenylnonanoylamino)ethyl]pyridine-3-carboxamide
CID 170077724
N-(1-pyridin-3-ylethylideneamino)nonanamide
CID 5136280
N-(1-pyridin-3-ylethylideneamino)heptanamide
CID 4162270
N-[[4-(pentanoylamino)phenyl]methyl]pyridine-3-carboxamide
CID 108925618
N-[3-[4-(2-methylphenoxy)butanoylamino]propyl]pyridine-3-carboxamide
CID 108926624

Frequently Asked Questions

What is the IUPAC name of N-[2-(hexadecanoylamino)ethyl]pyridine-3-carboxamide?
The IUPAC name of N-[2-(hexadecanoylamino)ethyl]pyridine-3-carboxamide (CID 146558338) is N-[2-(hexadecanoylamino)ethyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(hexadecanoylamino)ethyl]pyridine-3-carboxamide?
The canonical SMILES for N-[2-(hexadecanoylamino)ethyl]pyridine-3-carboxamide is CCCCCCCCCCCCCCCC(=O)NCCNC(=O)c1cccnc1.
What is the InChIKey of N-[2-(hexadecanoylamino)ethyl]pyridine-3-carboxamide?
The InChIKey is JOHXPHPYJPJMTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H41N3O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-23(28)26-19-20-27-24(29)22-16-15-18-25-21-22/h15-16,18,21H,2-14,17,19-20H2,1H3,(H,26,28)(H,27,29).
What are the key properties of N-[2-(hexadecanoylamino)ethyl]pyridine-3-carboxamide?
N-[2-(hexadecanoylamino)ethyl]pyridine-3-carboxamide has a molecular weight of 403.61 g/mol, XLogP of 5.41, 18 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(hexadecanoylamino)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 146558338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).