5-(butylamino)-N-phenylpyrazine-2-carboxamide

C15H18N4O — CID 109272620

IUPAC5-(butylamino)-N-phenylpyrazine-2-carboxamide
SMILESCCCCNc1cnc(C(=O)Nc2ccccc2)cn1
InChIInChI=1S/C15H18N4O/c1-2-3-9-16-14-11-17-13(10-18-14)15(20)19-12-7-5-4-6-8-12/h4-8,10-11H,2-3,9H2,1H3,(H,16,18)(H,19,20)
InChIKeyBBHWHPUSPABEKO-UHFFFAOYSA-N
MW270.34 g/mol
LogP2.94
Rot. Bonds6

About 5-(butylamino)-N-phenylpyrazine-2-carboxamide

5-(butylamino)-N-phenylpyrazine-2-carboxamide (PubChem CID 109272620) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is 5-(butylamino)-N-phenylpyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(butylamino)-N-phenylpyrazine-2-carboxamide
PubChem CID109272620
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC Name5-(butylamino)-N-phenylpyrazine-2-carboxamide
SMILESCCCCNc1cnc(C(=O)Nc2ccccc2)cn1
InChIInChI=1S/C15H18N4O/c1-2-3-9-16-14-11-17-13(10-18-14)15(20)19-12-7-5-4-6-8-12/h4-8,10-11H,2-3,9H2,1H3,(H,16,18)(H,19,20)
InChIKeyBBHWHPUSPABEKO-UHFFFAOYSA-N
XLogP2.94
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 52.94
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

Imidazole-4-carboxanilide
CID 312385
N-(2-fluorophenyl)-2-pyrazinecarboxamide
CID 803568
BG-45
CID 16773791
3-amino-6-methyl-N-pyridin-2-ylpyrazine-2-carboxamide
CID 11206949
3-Amino-N-{4-[(3s)-3-Aminopiperidin-1-Yl]pyridin-3-Yl}pyrazine-2-Carboxamide
CID 68187421
3-(3-(2H-1,2,3-triazol-2-yl)phenylamino)-5-((1R,2S)-2-aminocyclohexylamino)pyrazine-2-carboxamide
CID 86685547
N-(5-methyl-2-pyridinyl)pyrazine-2-carboxamide
CID 3419952
N-phenyl-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 4595252
N-phenylimidazo[1,2-a]pyridine-2-carboxamide
CID 4876863
2-anilino-9-[4-(3,5-dimethylpiperazin-1-yl)butyl]-1H-purin-6-one
CID 135445239
2-anilino-9-[4-(1-piperidyl)butyl]-1H-purin-6-one
CID 135476564
2-anilino-9-[4-(dimethylamino)butyl]-1H-purin-6-one
CID 135489188

Frequently Asked Questions

What is the IUPAC name of 5-(butylamino)-N-phenylpyrazine-2-carboxamide?
The IUPAC name of 5-(butylamino)-N-phenylpyrazine-2-carboxamide (CID 109272620) is 5-(butylamino)-N-phenylpyrazine-2-carboxamide.
What is the SMILES notation for 5-(butylamino)-N-phenylpyrazine-2-carboxamide?
The canonical SMILES for 5-(butylamino)-N-phenylpyrazine-2-carboxamide is CCCCNc1cnc(C(=O)Nc2ccccc2)cn1.
What is the InChIKey of 5-(butylamino)-N-phenylpyrazine-2-carboxamide?
The InChIKey is BBHWHPUSPABEKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c1-2-3-9-16-14-11-17-13(10-18-14)15(20)19-12-7-5-4-6-8-12/h4-8,10-11H,2-3,9H2,1H3,(H,16,18)(H,19,20).
What are the key properties of 5-(butylamino)-N-phenylpyrazine-2-carboxamide?
5-(butylamino)-N-phenylpyrazine-2-carboxamide has a molecular weight of 270.34 g/mol, XLogP of 2.94, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(butylamino)-N-phenylpyrazine-2-carboxamide is sourced from PubChem (CID 109272620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).