N-(4-tert-butylphenyl)-5-(3-phenylpropylamino)pyrazine-2-carboxamide

C24H28N4O — CID 109287084

IUPACN-(4-tert-butylphenyl)-5-(3-phenylpropylamino)pyrazine-2-carboxamide
SMILESCC(C)(C)c1ccc(NC(=O)c2cnc(NCCCc3ccccc3)cn2)cc1
InChIInChI=1S/C24H28N4O/c1-24(2,3)19-11-13-20(14-12-19)28-23(29)21-16-27-22(17-26-21)25-15-7-10-18-8-5-4-6-9-18/h4-6,8-9,11-14,16-17H,7,10,15H2,1-3H3,(H,25,27)(H,28,29)
InChIKeyWFIQVUGDIMLLHB-UHFFFAOYSA-N
MW388.52 g/mol
LogP5.07
Rot. Bonds7

About N-(4-tert-butylphenyl)-5-(3-phenylpropylamino)pyrazine-2-carboxamide

N-(4-tert-butylphenyl)-5-(3-phenylpropylamino)pyrazine-2-carboxamide (PubChem CID 109287084) has the molecular formula C24H28N4O and a molecular weight of 388.52 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-5-(3-phenylpropylamino)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-5-(3-phenylpropylamino)pyrazine-2-carboxamide
PubChem CID109287084
Molecular FormulaC24H28N4O
Molecular Weight388.52 g/mol
Exact Mass388.23
IUPAC NameN-(4-tert-butylphenyl)-5-(3-phenylpropylamino)pyrazine-2-carboxamide
SMILESCC(C)(C)c1ccc(NC(=O)c2cnc(NCCCc3ccccc3)cn2)cc1
InChIInChI=1S/C24H28N4O/c1-24(2,3)19-11-13-20(14-12-19)28-23(29)21-16-27-22(17-26-21)25-15-7-10-18-8-5-4-6-9-18/h4-6,8-9,11-14,16-17H,7,10,15H2,1-3H3,(H,25,27)(H,28,29)
InChIKeyWFIQVUGDIMLLHB-UHFFFAOYSA-N
XLogP5.07
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.52
LogP ≤ 55.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(4-tert-butylphenyl)-5-(3-phenylpropylamino)pyrazine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3,4-difluorophenyl)-5-(3-phenylpropylamino)pyrazine-2-carboxamide
CID 109287128
N-tert-butyl-5-(3-phenylpropylamino)pyrazine-2-carboxamide
CID 109287052
N-(4-fluorophenyl)-5-(2-phenylethylamino)pyrazine-2-carboxamide
CID 109283961
N-(4-acetamidophenyl)-5-(3-phenylpropylamino)pyridine-2-carboxamide
CID 109194935
5-(3-phenylpropylamino)-N-prop-2-enylpyrazine-2-carboxamide
CID 109272017
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
N-(4-tert-butylphenyl)-5-(pyridin-2-ylmethylamino)pyrazine-2-carboxamide
CID 109283133
N-cyclopentyl-5-(3-phenylpropylamino)pyrazine-2-carboxamide
CID 109273948
N-(4-tert-butylphenyl)-5-(pyridin-4-ylmethylamino)pyrazine-2-carboxamide
CID 109283705
N-(3,4-difluorophenyl)-5-(2-phenylethylamino)pyrazine-2-carboxamide
CID 109284021
N-(3,4-dimethoxyphenyl)-5-(2-phenylethylamino)pyrazine-2-carboxamide
CID 109283984

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-5-(3-phenylpropylamino)pyrazine-2-carboxamide?
The IUPAC name of N-(4-tert-butylphenyl)-5-(3-phenylpropylamino)pyrazine-2-carboxamide (CID 109287084) is N-(4-tert-butylphenyl)-5-(3-phenylpropylamino)pyrazine-2-carboxamide.
What is the SMILES notation for N-(4-tert-butylphenyl)-5-(3-phenylpropylamino)pyrazine-2-carboxamide?
The canonical SMILES for N-(4-tert-butylphenyl)-5-(3-phenylpropylamino)pyrazine-2-carboxamide is CC(C)(C)c1ccc(NC(=O)c2cnc(NCCCc3ccccc3)cn2)cc1.
What is the InChIKey of N-(4-tert-butylphenyl)-5-(3-phenylpropylamino)pyrazine-2-carboxamide?
The InChIKey is WFIQVUGDIMLLHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O/c1-24(2,3)19-11-13-20(14-12-19)28-23(29)21-16-27-22(17-26-21)25-15-7-10-18-8-5-4-6-9-18/h4-6,8-9,11-14,16-17H,7,10,15H2,1-3H3,(H,25,27)(H,28,29).
What are the key properties of N-(4-tert-butylphenyl)-5-(3-phenylpropylamino)pyrazine-2-carboxamide?
N-(4-tert-butylphenyl)-5-(3-phenylpropylamino)pyrazine-2-carboxamide has a molecular weight of 388.52 g/mol, XLogP of 5.07, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-5-(3-phenylpropylamino)pyrazine-2-carboxamide is sourced from PubChem (CID 109287084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).