5-(butylamino)-N-(pyridin-4-ylmethyl)pyrazine-2-carboxamide

C15H19N5O — CID 109272569

IUPAC5-(butylamino)-N-(pyridin-4-ylmethyl)pyrazine-2-carboxamide
SMILESCCCCNc1cnc(C(=O)NCc2ccncc2)cn1
InChIInChI=1S/C15H19N5O/c1-2-3-6-17-14-11-18-13(10-19-14)15(21)20-9-12-4-7-16-8-5-12/h4-5,7-8,10-11H,2-3,6,9H2,1H3,(H,17,19)(H,20,21)
InChIKeyJLZNNWORYJQBSJ-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.01
Rot. Bonds7

About 5-(butylamino)-N-(pyridin-4-ylmethyl)pyrazine-2-carboxamide

5-(butylamino)-N-(pyridin-4-ylmethyl)pyrazine-2-carboxamide (PubChem CID 109272569) has the molecular formula C15H19N5O and a molecular weight of 285.35 g/mol. Its IUPAC name is 5-(butylamino)-N-(pyridin-4-ylmethyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(butylamino)-N-(pyridin-4-ylmethyl)pyrazine-2-carboxamide
PubChem CID109272569
Molecular FormulaC15H19N5O
Molecular Weight285.35 g/mol
Exact Mass285.16
IUPAC Name5-(butylamino)-N-(pyridin-4-ylmethyl)pyrazine-2-carboxamide
SMILESCCCCNc1cnc(C(=O)NCc2ccncc2)cn1
InChIInChI=1S/C15H19N5O/c1-2-3-6-17-14-11-18-13(10-19-14)15(21)20-9-12-4-7-16-8-5-12/h4-5,7-8,10-11H,2-3,6,9H2,1H3,(H,17,19)(H,20,21)
InChIKeyJLZNNWORYJQBSJ-UHFFFAOYSA-N
XLogP2.01
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-[3-(dimethylamino)propylamino]-N-(pyridin-4-ylmethyl)pyrazine-2-carboxamide
CID 109277924
5-(butylamino)-N-(2-methylpropyl)pyrazine-2-carboxamide
CID 109272533
6-(propylamino)-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide
CID 109338279
5-[3-(dimethylamino)propylamino]-N-[(4-methoxyphenyl)methyl]pyrazine-2-carboxamide
CID 109277919
N-(2-methylpropyl)-5-(pentylamino)pyrazine-2-carboxamide
CID 109272804
N-benzyl-5-(benzylamino)pyrazine-2-carboxamide
CID 109279637
5-(cyclohexylamino)-N-(pyridin-4-ylmethyl)pyrazine-2-carboxamide
CID 109274849
N-[(3-fluorophenyl)methyl]-5-(propylamino)pyrazine-2-carboxamide
CID 107374362
N-[2-(4-methoxyphenyl)ethyl]-5-(pyridin-4-ylmethylamino)pyrazine-2-carboxamide
CID 109283647
N-(4-tert-butylphenyl)-5-(pyridin-4-ylmethylamino)pyrazine-2-carboxamide
CID 109283705
N-(3-acetamidophenyl)-5-(butylamino)pyrazine-2-carboxamide
CID 109272675
N-(4-ethylphenyl)-5-(pyridin-4-ylmethylamino)pyrazine-2-carboxamide
CID 109283696

Frequently Asked Questions

What is the IUPAC name of 5-(butylamino)-N-(pyridin-4-ylmethyl)pyrazine-2-carboxamide?
The IUPAC name of 5-(butylamino)-N-(pyridin-4-ylmethyl)pyrazine-2-carboxamide (CID 109272569) is 5-(butylamino)-N-(pyridin-4-ylmethyl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-(butylamino)-N-(pyridin-4-ylmethyl)pyrazine-2-carboxamide?
The canonical SMILES for 5-(butylamino)-N-(pyridin-4-ylmethyl)pyrazine-2-carboxamide is CCCCNc1cnc(C(=O)NCc2ccncc2)cn1.
What is the InChIKey of 5-(butylamino)-N-(pyridin-4-ylmethyl)pyrazine-2-carboxamide?
The InChIKey is JLZNNWORYJQBSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O/c1-2-3-6-17-14-11-18-13(10-19-14)15(21)20-9-12-4-7-16-8-5-12/h4-5,7-8,10-11H,2-3,6,9H2,1H3,(H,17,19)(H,20,21).
What are the key properties of 5-(butylamino)-N-(pyridin-4-ylmethyl)pyrazine-2-carboxamide?
5-(butylamino)-N-(pyridin-4-ylmethyl)pyrazine-2-carboxamide has a molecular weight of 285.35 g/mol, XLogP of 2.01, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(butylamino)-N-(pyridin-4-ylmethyl)pyrazine-2-carboxamide is sourced from PubChem (CID 109272569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).