N-tert-butyl-5-(3-phenylpropylamino)pyrazine-2-carboxamide

C18H24N4O — CID 109287052

IUPACN-tert-butyl-5-(3-phenylpropylamino)pyrazine-2-carboxamide
SMILESCC(C)(C)NC(=O)c1cnc(NCCCc2ccccc2)cn1
InChIInChI=1S/C18H24N4O/c1-18(2,3)22-17(23)15-12-21-16(13-20-15)19-11-7-10-14-8-5-4-6-9-14/h4-6,8-9,12-13H,7,10-11H2,1-3H3,(H,19,21)(H,22,23)
InChIKeyPIUQIQCUFRMDAZ-UHFFFAOYSA-N
MW312.42 g/mol
LogP3.05
Rot. Bonds6

About N-tert-butyl-5-(3-phenylpropylamino)pyrazine-2-carboxamide

N-tert-butyl-5-(3-phenylpropylamino)pyrazine-2-carboxamide (PubChem CID 109287052) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is N-tert-butyl-5-(3-phenylpropylamino)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-5-(3-phenylpropylamino)pyrazine-2-carboxamide
PubChem CID109287052
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC NameN-tert-butyl-5-(3-phenylpropylamino)pyrazine-2-carboxamide
SMILESCC(C)(C)NC(=O)c1cnc(NCCCc2ccccc2)cn1
InChIInChI=1S/C18H24N4O/c1-18(2,3)22-17(23)15-12-21-16(13-20-15)19-11-7-10-14-8-5-4-6-9-14/h4-6,8-9,12-13H,7,10-11H2,1-3H3,(H,19,21)(H,22,23)
InChIKeyPIUQIQCUFRMDAZ-UHFFFAOYSA-N
XLogP3.05
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 53.05
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

N-(4-tert-butylphenyl)-5-(3-phenylpropylamino)pyrazine-2-carboxamide
CID 109287084
N-cyclopentyl-5-(3-phenylpropylamino)pyrazine-2-carboxamide
CID 109273948
5-(3-phenylpropylamino)-N-prop-2-enylpyrazine-2-carboxamide
CID 109272017
N-[(2-methylphenyl)methyl]-5-(3-phenylpropylamino)pyrazine-2-carboxamide
CID 109279989
N-[(2-chlorophenyl)methyl]-5-(3-phenylpropylamino)pyrazine-2-carboxamide
CID 109281812
N-(4-chloro-2-methylphenyl)-5-(3-phenylpropylamino)pyrazine-2-carboxamide
CID 109287092
N-(2-ethyl-6-methylphenyl)-5-(3-phenylpropylamino)pyrazine-2-carboxamide
CID 109287079
5-[2-(4-fluorophenyl)ethylamino]-N-(3-phenylpropyl)pyrazine-2-carboxamide
CID 109284508
N-(3,4-difluorophenyl)-5-(3-phenylpropylamino)pyrazine-2-carboxamide
CID 109287128
N-(2-methylphenyl)-5-(2-phenylethylamino)pyrazine-2-carboxamide
CID 109283937
5-hydrazinyl-N-(3-phenylpropyl)pyrazine-2-carboxamide
CID 107377524
5-[(4-chlorophenyl)methylamino]-N-(3-phenylpropyl)pyrazine-2-carboxamide
CID 109282099

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-5-(3-phenylpropylamino)pyrazine-2-carboxamide?
The IUPAC name of N-tert-butyl-5-(3-phenylpropylamino)pyrazine-2-carboxamide (CID 109287052) is N-tert-butyl-5-(3-phenylpropylamino)pyrazine-2-carboxamide.
What is the SMILES notation for N-tert-butyl-5-(3-phenylpropylamino)pyrazine-2-carboxamide?
The canonical SMILES for N-tert-butyl-5-(3-phenylpropylamino)pyrazine-2-carboxamide is CC(C)(C)NC(=O)c1cnc(NCCCc2ccccc2)cn1.
What is the InChIKey of N-tert-butyl-5-(3-phenylpropylamino)pyrazine-2-carboxamide?
The InChIKey is PIUQIQCUFRMDAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c1-18(2,3)22-17(23)15-12-21-16(13-20-15)19-11-7-10-14-8-5-4-6-9-14/h4-6,8-9,12-13H,7,10-11H2,1-3H3,(H,19,21)(H,22,23).
What are the key properties of N-tert-butyl-5-(3-phenylpropylamino)pyrazine-2-carboxamide?
N-tert-butyl-5-(3-phenylpropylamino)pyrazine-2-carboxamide has a molecular weight of 312.42 g/mol, XLogP of 3.05, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-5-(3-phenylpropylamino)pyrazine-2-carboxamide is sourced from PubChem (CID 109287052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).