5-(3-phenylpropylamino)-N-prop-2-enylpyrazine-2-carboxamide

C17H20N4O — CID 109272017

IUPAC5-(3-phenylpropylamino)-N-prop-2-enylpyrazine-2-carboxamide
SMILESC=CCNC(=O)c1cnc(NCCCc2ccccc2)cn1
InChIInChI=1S/C17H20N4O/c1-2-10-19-17(22)15-12-21-16(13-20-15)18-11-6-9-14-7-4-3-5-8-14/h2-5,7-8,12-13H,1,6,9-11H2,(H,18,21)(H,19,22)
InChIKeyHQKZLQQFHNSOQU-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.44
Rot. Bonds8

About 5-(3-phenylpropylamino)-N-prop-2-enylpyrazine-2-carboxamide

5-(3-phenylpropylamino)-N-prop-2-enylpyrazine-2-carboxamide (PubChem CID 109272017) has the molecular formula C17H20N4O and a molecular weight of 296.37 g/mol. Its IUPAC name is 5-(3-phenylpropylamino)-N-prop-2-enylpyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(3-phenylpropylamino)-N-prop-2-enylpyrazine-2-carboxamide
PubChem CID109272017
Molecular FormulaC17H20N4O
Molecular Weight296.37 g/mol
Exact Mass296.16
IUPAC Name5-(3-phenylpropylamino)-N-prop-2-enylpyrazine-2-carboxamide
SMILESC=CCNC(=O)c1cnc(NCCCc2ccccc2)cn1
InChIInChI=1S/C17H20N4O/c1-2-10-19-17(22)15-12-21-16(13-20-15)18-11-6-9-14-7-4-3-5-8-14/h2-5,7-8,12-13H,1,6,9-11H2,(H,18,21)(H,19,22)
InChIKeyHQKZLQQFHNSOQU-UHFFFAOYSA-N
XLogP2.44
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-[2-(4-fluorophenyl)ethylamino]-N-prop-2-enylpyrazine-2-carboxamide
CID 109271987
N-tert-butyl-5-(3-phenylpropylamino)pyrazine-2-carboxamide
CID 109287052
N-[(2-methylphenyl)methyl]-5-(3-phenylpropylamino)pyrazine-2-carboxamide
CID 109279989
N-[(2-chlorophenyl)methyl]-5-(3-phenylpropylamino)pyrazine-2-carboxamide
CID 109281812
5-[2-(4-fluorophenyl)ethylamino]-N-(3-phenylpropyl)pyrazine-2-carboxamide
CID 109284508
N-(4-tert-butylphenyl)-5-(3-phenylpropylamino)pyrazine-2-carboxamide
CID 109287084
N-cyclopentyl-5-(3-phenylpropylamino)pyrazine-2-carboxamide
CID 109273948
5-hydrazinyl-N-(3-phenylpropyl)pyrazine-2-carboxamide
CID 107377524
5-(2-methoxyethylamino)-N-prop-2-enylpyrazine-2-carboxamide
CID 109271955
5-[(4-chlorophenyl)methylamino]-N-(3-phenylpropyl)pyrazine-2-carboxamide
CID 109282099
N-[2-(4-chlorophenyl)ethyl]-5-(2-phenylethylamino)pyrazine-2-carboxamide
CID 109283914
2-N-(3-phenylpropyl)-4-N-prop-2-enylpyridine-2,4-dicarboxamide
CID 109078863

Frequently Asked Questions

What is the IUPAC name of 5-(3-phenylpropylamino)-N-prop-2-enylpyrazine-2-carboxamide?
The IUPAC name of 5-(3-phenylpropylamino)-N-prop-2-enylpyrazine-2-carboxamide (CID 109272017) is 5-(3-phenylpropylamino)-N-prop-2-enylpyrazine-2-carboxamide.
What is the SMILES notation for 5-(3-phenylpropylamino)-N-prop-2-enylpyrazine-2-carboxamide?
The canonical SMILES for 5-(3-phenylpropylamino)-N-prop-2-enylpyrazine-2-carboxamide is C=CCNC(=O)c1cnc(NCCCc2ccccc2)cn1.
What is the InChIKey of 5-(3-phenylpropylamino)-N-prop-2-enylpyrazine-2-carboxamide?
The InChIKey is HQKZLQQFHNSOQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O/c1-2-10-19-17(22)15-12-21-16(13-20-15)18-11-6-9-14-7-4-3-5-8-14/h2-5,7-8,12-13H,1,6,9-11H2,(H,18,21)(H,19,22).
What are the key properties of 5-(3-phenylpropylamino)-N-prop-2-enylpyrazine-2-carboxamide?
5-(3-phenylpropylamino)-N-prop-2-enylpyrazine-2-carboxamide has a molecular weight of 296.37 g/mol, XLogP of 2.44, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-phenylpropylamino)-N-prop-2-enylpyrazine-2-carboxamide is sourced from PubChem (CID 109272017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).