5-(3-cyclohexylpropylcarbamoyl)pyrazine-2-carboxylic acid

C15H21N3O3 — CID 120685018

IUPAC5-(3-cyclohexylpropylcarbamoyl)pyrazine-2-carboxylic acid
SMILESO=C(O)c1cnc(C(=O)NCCCC2CCCCC2)cn1
InChIInChI=1S/C15H21N3O3/c19-14(12-9-18-13(10-17-12)15(20)21)16-8-4-7-11-5-2-1-3-6-11/h9-11H,1-8H2,(H,16,19)(H,20,21)
InChIKeyRHGAIGSODIWIDI-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.27
Rot. Bonds6

About 5-(3-cyclohexylpropylcarbamoyl)pyrazine-2-carboxylic acid

5-(3-cyclohexylpropylcarbamoyl)pyrazine-2-carboxylic acid (PubChem CID 120685018) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 5-(3-cyclohexylpropylcarbamoyl)pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5-(3-cyclohexylpropylcarbamoyl)pyrazine-2-carboxylic acid
PubChem CID120685018
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name5-(3-cyclohexylpropylcarbamoyl)pyrazine-2-carboxylic acid
SMILESO=C(O)c1cnc(C(=O)NCCCC2CCCCC2)cn1
InChIInChI=1S/C15H21N3O3/c19-14(12-9-18-13(10-17-12)15(20)21)16-8-4-7-11-5-2-1-3-6-11/h9-11H,1-8H2,(H,16,19)(H,20,21)
InChIKeyRHGAIGSODIWIDI-UHFFFAOYSA-N
XLogP2.27
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.27
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-amino-N-(3-cyclopentylpropyl)pyridine-2-carboxamide
CID 106006309
N-(3-cyclopentylpropyl)-5-(propylamino)pyrazine-2-carboxamide
CID 106015585
5-(aminomethyl)-N-(3-cyclopentylpropyl)pyridine-2-carboxamide
CID 106016244
5-(cyclooctylcarbamoyl)pyrazine-2-carboxylic acid
CID 120684742
N-(3-cyclopropylpropyl)-5-(ethylamino)pyrazine-2-carboxamide
CID 107377006
N-(2-cyclohexylethyl)-5-(propylamino)pyrazine-2-carboxamide
CID 107374667
3-cyclohexylpropylcarbamic acid
CID 54479876
6-amino-N-(3-cyclopentylpropyl)pyridine-3-carboxamide
CID 114137460
N-(cyclohexylmethyl)-5-methylpyrazine-2-carboxamide
CID 855752
5-[2-(2-bicyclo[2.2.1]heptanyl)ethylcarbamoyl]pyrazine-2-carboxylic acid
CID 120685339
5-chloro-N-(cyclohexylmethyl)pyrazine-2-carboxamide
CID 107236593
N-(3-cyclopentylpropyl)-6-(propylamino)pyrazine-2-carboxamide
CID 106015591

Frequently Asked Questions

What is the IUPAC name of 5-(3-cyclohexylpropylcarbamoyl)pyrazine-2-carboxylic acid?
The IUPAC name of 5-(3-cyclohexylpropylcarbamoyl)pyrazine-2-carboxylic acid (CID 120685018) is 5-(3-cyclohexylpropylcarbamoyl)pyrazine-2-carboxylic acid.
What is the SMILES notation for 5-(3-cyclohexylpropylcarbamoyl)pyrazine-2-carboxylic acid?
The canonical SMILES for 5-(3-cyclohexylpropylcarbamoyl)pyrazine-2-carboxylic acid is O=C(O)c1cnc(C(=O)NCCCC2CCCCC2)cn1.
What is the InChIKey of 5-(3-cyclohexylpropylcarbamoyl)pyrazine-2-carboxylic acid?
The InChIKey is RHGAIGSODIWIDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c19-14(12-9-18-13(10-17-12)15(20)21)16-8-4-7-11-5-2-1-3-6-11/h9-11H,1-8H2,(H,16,19)(H,20,21).
What are the key properties of 5-(3-cyclohexylpropylcarbamoyl)pyrazine-2-carboxylic acid?
5-(3-cyclohexylpropylcarbamoyl)pyrazine-2-carboxylic acid has a molecular weight of 291.35 g/mol, XLogP of 2.27, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-cyclohexylpropylcarbamoyl)pyrazine-2-carboxylic acid is sourced from PubChem (CID 120685018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).