3,5-diamino-N-[N'-[8-[2-(dimethylamino)ethoxy]-4,4,6,6-tetramethyloctyl]carbamimidoyl]-6-methylpyrazine-2-carboxamide

C23H44N8O2 — CID 143018114

IUPAC3,5-diamino-N-[N'-[8-[2-(dimethylamino)ethoxy]-4,4,6,6-tetramethyloctyl]carbamimidoyl]-6-methylpyrazine-2-carboxamide
SMILESCc1nc(C(=O)N/C(N)=N/CCCC(C)(C)CC(C)(C)CCOCCN(C)C)c(N)nc1N
InChIInChI=1S/C23H44N8O2/c1-16-18(24)29-19(25)17(28-16)20(32)30-21(26)27-11-8-9-22(2,3)15-23(4,5)10-13-33-14-12-31(6)7/h8-15H2,1-7H3,(H4,24,25,29)(H3,26,27,30,32)
InChIKeyOAZUVQVUTOXBRE-UHFFFAOYSA-N
MW464.66 g/mol
LogP2.18
Rot. Bonds13

About 3,5-diamino-N-[N'-[8-[2-(dimethylamino)ethoxy]-4,4,6,6-tetramethyloctyl]carbamimidoyl]-6-methylpyrazine-2-carboxamide

3,5-diamino-N-[N'-[8-[2-(dimethylamino)ethoxy]-4,4,6,6-tetramethyloctyl]carbamimidoyl]-6-methylpyrazine-2-carboxamide (PubChem CID 143018114) has the molecular formula C23H44N8O2 and a molecular weight of 464.66 g/mol. Its IUPAC name is 3,5-diamino-N-[N'-[8-[2-(dimethylamino)ethoxy]-4,4,6,6-tetramethyloctyl]carbamimidoyl]-6-methylpyrazine-2-carboxamide.

Molecular Properties

Compound Name3,5-diamino-N-[N'-[8-[2-(dimethylamino)ethoxy]-4,4,6,6-tetramethyloctyl]carbamimidoyl]-6-methylpyrazine-2-carboxamide
PubChem CID143018114
Molecular FormulaC23H44N8O2
Molecular Weight464.66 g/mol
Exact Mass464.36
IUPAC Name3,5-diamino-N-[N'-[8-[2-(dimethylamino)ethoxy]-4,4,6,6-tetramethyloctyl]carbamimidoyl]-6-methylpyrazine-2-carboxamide
SMILESCc1nc(C(=O)N/C(N)=N/CCCC(C)(C)CC(C)(C)CCOCCN(C)C)c(N)nc1N
InChIInChI=1S/C23H44N8O2/c1-16-18(24)29-19(25)17(28-16)20(32)30-21(26)27-11-8-9-22(2,3)15-23(4,5)10-13-33-14-12-31(6)7/h8-15H2,1-7H3,(H4,24,25,29)(H3,26,27,30,32)
InChIKeyOAZUVQVUTOXBRE-UHFFFAOYSA-N
XLogP2.18
TPSA157.77 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds13
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.66
LogP ≤ 52.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,5-diamino-N-[N'-[8-[2-(dimethylamino)ethoxy]-4,4,6,6-tetramethyloctyl]carbamimidoyl]-6-methylpyrazine-2-carboxamide?
The IUPAC name of 3,5-diamino-N-[N'-[8-[2-(dimethylamino)ethoxy]-4,4,6,6-tetramethyloctyl]carbamimidoyl]-6-methylpyrazine-2-carboxamide (CID 143018114) is 3,5-diamino-N-[N'-[8-[2-(dimethylamino)ethoxy]-4,4,6,6-tetramethyloctyl]carbamimidoyl]-6-methylpyrazine-2-carboxamide.
What is the SMILES notation for 3,5-diamino-N-[N'-[8-[2-(dimethylamino)ethoxy]-4,4,6,6-tetramethyloctyl]carbamimidoyl]-6-methylpyrazine-2-carboxamide?
The canonical SMILES for 3,5-diamino-N-[N'-[8-[2-(dimethylamino)ethoxy]-4,4,6,6-tetramethyloctyl]carbamimidoyl]-6-methylpyrazine-2-carboxamide is Cc1nc(C(=O)N/C(N)=N/CCCC(C)(C)CC(C)(C)CCOCCN(C)C)c(N)nc1N.
What is the InChIKey of 3,5-diamino-N-[N'-[8-[2-(dimethylamino)ethoxy]-4,4,6,6-tetramethyloctyl]carbamimidoyl]-6-methylpyrazine-2-carboxamide?
The InChIKey is OAZUVQVUTOXBRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H44N8O2/c1-16-18(24)29-19(25)17(28-16)20(32)30-21(26)27-11-8-9-22(2,3)15-23(4,5)10-13-33-14-12-31(6)7/h8-15H2,1-7H3,(H4,24,25,29)(H3,26,27,30,32).
What are the key properties of 3,5-diamino-N-[N'-[8-[2-(dimethylamino)ethoxy]-4,4,6,6-tetramethyloctyl]carbamimidoyl]-6-methylpyrazine-2-carboxamide?
3,5-diamino-N-[N'-[8-[2-(dimethylamino)ethoxy]-4,4,6,6-tetramethyloctyl]carbamimidoyl]-6-methylpyrazine-2-carboxamide has a molecular weight of 464.66 g/mol, XLogP of 2.18, 13 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diamino-N-[N'-[8-[2-(dimethylamino)ethoxy]-4,4,6,6-tetramethyloctyl]carbamimidoyl]-6-methylpyrazine-2-carboxamide is sourced from PubChem (CID 143018114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).