5-(7-methyloctylamino)pyrazine-2-carboxylic acid

C14H23N3O2 — CID 107815534

IUPAC5-(7-methyloctylamino)pyrazine-2-carboxylic acid
SMILESCC(C)CCCCCCNc1cnc(C(=O)O)cn1
InChIInChI=1S/C14H23N3O2/c1-11(2)7-5-3-4-6-8-15-13-10-16-12(9-17-13)14(18)19/h9-11H,3-8H2,1-2H3,(H,15,17)(H,18,19)
InChIKeyIAQIQADSRNUEPT-UHFFFAOYSA-N
MW265.36 g/mol
LogP3.19
Rot. Bonds9

About 5-(7-methyloctylamino)pyrazine-2-carboxylic acid

5-(7-methyloctylamino)pyrazine-2-carboxylic acid (PubChem CID 107815534) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 5-(7-methyloctylamino)pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5-(7-methyloctylamino)pyrazine-2-carboxylic acid
PubChem CID107815534
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name5-(7-methyloctylamino)pyrazine-2-carboxylic acid
SMILESCC(C)CCCCCCNc1cnc(C(=O)O)cn1
InChIInChI=1S/C14H23N3O2/c1-11(2)7-5-3-4-6-8-15-13-10-16-12(9-17-13)14(18)19/h9-11H,3-8H2,1-2H3,(H,15,17)(H,18,19)
InChIKeyIAQIQADSRNUEPT-UHFFFAOYSA-N
XLogP3.19
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 53.19
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

5-(4-hydroxypentylamino)pyrazine-2-carboxylic acid
CID 106136489
5-[3-(2-methylpropylsulfanyl)propylamino]pyrazine-2-carboxylic acid
CID 122054578
N-(4-methylpentyl)-5-(propylamino)pyrazine-2-carboxamide
CID 107375562
5-(2-acetamidoethylamino)pyrazine-2-carboxylic acid
CID 107372326
6-(4-methylpentylamino)pyridine-3-carboxylic acid
CID 63002439
5-[1-(dimethylamino)propan-2-ylamino]pyrazine-2-carboxylic acid
CID 82949530
5-[(5-methoxy-4,4-dimethylpentyl)amino]pyrazine-2-carboxylic acid
CID 122057461
N-(2-methylpropyl)-5-(pentylamino)pyrazine-2-carboxamide
CID 109272804
5-amino-6-(7-methyloctylamino)pyridine-2-carboxylic acid
CID 107817789
6-(5-methylhexylamino)pyridine-3-carboxamide
CID 79003295
2-(5-methylhexylamino)pyrimidine-4-carboxylic acid
CID 107554244
2-(7-methyloctylamino)-1,3-oxazole-4-carboxylic acid
CID 107815533

Frequently Asked Questions

What is the IUPAC name of 5-(7-methyloctylamino)pyrazine-2-carboxylic acid?
The IUPAC name of 5-(7-methyloctylamino)pyrazine-2-carboxylic acid (CID 107815534) is 5-(7-methyloctylamino)pyrazine-2-carboxylic acid.
What is the SMILES notation for 5-(7-methyloctylamino)pyrazine-2-carboxylic acid?
The canonical SMILES for 5-(7-methyloctylamino)pyrazine-2-carboxylic acid is CC(C)CCCCCCNc1cnc(C(=O)O)cn1.
What is the InChIKey of 5-(7-methyloctylamino)pyrazine-2-carboxylic acid?
The InChIKey is IAQIQADSRNUEPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-11(2)7-5-3-4-6-8-15-13-10-16-12(9-17-13)14(18)19/h9-11H,3-8H2,1-2H3,(H,15,17)(H,18,19).
What are the key properties of 5-(7-methyloctylamino)pyrazine-2-carboxylic acid?
5-(7-methyloctylamino)pyrazine-2-carboxylic acid has a molecular weight of 265.36 g/mol, XLogP of 3.19, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(7-methyloctylamino)pyrazine-2-carboxylic acid is sourced from PubChem (CID 107815534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).