3-N-dodecylpyrazine-2,3-dicarboxamide

C18H30N4O2 — CID 66771838

IUPAC3-N-dodecylpyrazine-2,3-dicarboxamide
SMILESCCCCCCCCCCCCNC(=O)c1nccnc1C(N)=O
InChIInChI=1S/C18H30N4O2/c1-2-3-4-5-6-7-8-9-10-11-12-22-18(24)16-15(17(19)23)20-13-14-21-16/h13-14H,2-12H2,1H3,(H2,19,23)(H,22,24)
InChIKeyWYWKNPLZCMFTCH-UHFFFAOYSA-N
MW334.46 g/mol
LogP3.23
Rot. Bonds13

About 3-N-dodecylpyrazine-2,3-dicarboxamide

3-N-dodecylpyrazine-2,3-dicarboxamide (PubChem CID 66771838) has the molecular formula C18H30N4O2 and a molecular weight of 334.46 g/mol. Its IUPAC name is 3-N-dodecylpyrazine-2,3-dicarboxamide.

Molecular Properties

Compound Name3-N-dodecylpyrazine-2,3-dicarboxamide
PubChem CID66771838
Molecular FormulaC18H30N4O2
Molecular Weight334.46 g/mol
Exact Mass334.24
IUPAC Name3-N-dodecylpyrazine-2,3-dicarboxamide
SMILESCCCCCCCCCCCCNC(=O)c1nccnc1C(N)=O
InChIInChI=1S/C18H30N4O2/c1-2-3-4-5-6-7-8-9-10-11-12-22-18(24)16-15(17(19)23)20-13-14-21-16/h13-14H,2-12H2,1H3,(H2,19,23)(H,22,24)
InChIKeyWYWKNPLZCMFTCH-UHFFFAOYSA-N
XLogP3.23
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-hexylpyrazine-2-carboxamide
CID 32647019
N-butyl-3-methylpyrazine-2-carboxamide
CID 130272239
4-N,5-N,10-N,11-N,16-N,17-N-hexahexyl-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1,3,5,7,9,11,13,15,17-nonaene-4,5,10,11,16,17-hexacarboxamide
CID 14294049
2-(pentylcarbamoyl)pyridine-3-carboxylic acid
CID 63614748
3-bromo-N-pentylpyridine-2-carboxamide
CID 107517688
N-heptyl-3-hydroxy-4-methoxypyridine-2-carboxamide
CID 21088900
N-hexylpyridine-4-carboxamide
CID 3423732
N-hexyl-1-methylimidazole-2-carboxamide
CID 162400455
N-pentylpyridine-4-carboxamide
CID 2307296
N-pentyl-1,3-thiazole-2-carboxamide
CID 110695980
4-butoxy-N-hexadecylbenzamide
CID 4936106
N-hexyl-2-methylpyridine-3-carboxamide
CID 67377746

Frequently Asked Questions

What is the IUPAC name of 3-N-dodecylpyrazine-2,3-dicarboxamide?
The IUPAC name of 3-N-dodecylpyrazine-2,3-dicarboxamide (CID 66771838) is 3-N-dodecylpyrazine-2,3-dicarboxamide.
What is the SMILES notation for 3-N-dodecylpyrazine-2,3-dicarboxamide?
The canonical SMILES for 3-N-dodecylpyrazine-2,3-dicarboxamide is CCCCCCCCCCCCNC(=O)c1nccnc1C(N)=O.
What is the InChIKey of 3-N-dodecylpyrazine-2,3-dicarboxamide?
The InChIKey is WYWKNPLZCMFTCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O2/c1-2-3-4-5-6-7-8-9-10-11-12-22-18(24)16-15(17(19)23)20-13-14-21-16/h13-14H,2-12H2,1H3,(H2,19,23)(H,22,24).
What are the key properties of 3-N-dodecylpyrazine-2,3-dicarboxamide?
3-N-dodecylpyrazine-2,3-dicarboxamide has a molecular weight of 334.46 g/mol, XLogP of 3.23, 13 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-dodecylpyrazine-2,3-dicarboxamide is sourced from PubChem (CID 66771838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).