N'-(1-dodecyl-2H-pyridin-3-yl)oxamide

C19H33N3O2 — CID 175429462

IUPACN'-(1-dodecyl-2H-pyridin-3-yl)oxamide
SMILESCCCCCCCCCCCCN1C=CC=C(NC(=O)C(N)=O)C1
InChIInChI=1S/C19H33N3O2/c1-2-3-4-5-6-7-8-9-10-11-14-22-15-12-13-17(16-22)21-19(24)18(20)23/h12-13,15H,2-11,14,16H2,1H3,(H2,20,23)(H,21,24)
InChIKeyLJTCZLCYJVGDFI-UHFFFAOYSA-N
MW335.49 g/mol
LogP3.22
Rot. Bonds12

About N'-(1-dodecyl-2H-pyridin-3-yl)oxamide

N'-(1-dodecyl-2H-pyridin-3-yl)oxamide (PubChem CID 175429462) has the molecular formula C19H33N3O2 and a molecular weight of 335.49 g/mol. Its IUPAC name is N'-(1-dodecyl-2H-pyridin-3-yl)oxamide.

Molecular Properties

Compound NameN'-(1-dodecyl-2H-pyridin-3-yl)oxamide
PubChem CID175429462
Molecular FormulaC19H33N3O2
Molecular Weight335.49 g/mol
Exact Mass335.26
IUPAC NameN'-(1-dodecyl-2H-pyridin-3-yl)oxamide
SMILESCCCCCCCCCCCCN1C=CC=C(NC(=O)C(N)=O)C1
InChIInChI=1S/C19H33N3O2/c1-2-3-4-5-6-7-8-9-10-11-14-22-15-12-13-17(16-22)21-19(24)18(20)23/h12-13,15H,2-11,14,16H2,1H3,(H2,20,23)(H,21,24)
InChIKeyLJTCZLCYJVGDFI-UHFFFAOYSA-N
XLogP3.22
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.49
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-decyl-3-methyl-2H-pyridine
CID 141124011
1-butyl-2H-pyridine-3-carboxylic acid;hydrobromide
CID 172823274
1-hexyl-3-methyl-2H-pyridine;trifluoromethanesulfonic acid
CID 174688391
1-octyl-2H-pyrimidine
CID 139947910
N'-(4-dodecylphenyl)oxamide
CID 118096540
1-hexyl-3-nonadecyl-2H-imidazole
CID 69396204
1-pentadecyl-3-tridecyl-2H-imidazole
CID 69396629
1-hexadecyl-3-octadecyl-2H-imidazole
CID 68970156
1-heptyl-3-nonyl-2H-imidazole
CID 69393199
1-nonyl-3-undecyl-2H-imidazole
CID 69391482
1-dodecyl-3-octadecyl-2H-imidazole
CID 68899578
1-octyl-3-undecyl-2H-imidazole
CID 69389433

Frequently Asked Questions

What is the IUPAC name of N'-(1-dodecyl-2H-pyridin-3-yl)oxamide?
The IUPAC name of N'-(1-dodecyl-2H-pyridin-3-yl)oxamide (CID 175429462) is N'-(1-dodecyl-2H-pyridin-3-yl)oxamide.
What is the SMILES notation for N'-(1-dodecyl-2H-pyridin-3-yl)oxamide?
The canonical SMILES for N'-(1-dodecyl-2H-pyridin-3-yl)oxamide is CCCCCCCCCCCCN1C=CC=C(NC(=O)C(N)=O)C1.
What is the InChIKey of N'-(1-dodecyl-2H-pyridin-3-yl)oxamide?
The InChIKey is LJTCZLCYJVGDFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N3O2/c1-2-3-4-5-6-7-8-9-10-11-14-22-15-12-13-17(16-22)21-19(24)18(20)23/h12-13,15H,2-11,14,16H2,1H3,(H2,20,23)(H,21,24).
What are the key properties of N'-(1-dodecyl-2H-pyridin-3-yl)oxamide?
N'-(1-dodecyl-2H-pyridin-3-yl)oxamide has a molecular weight of 335.49 g/mol, XLogP of 3.22, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1-dodecyl-2H-pyridin-3-yl)oxamide is sourced from PubChem (CID 175429462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).