5-[(4-methylphenyl)methylamino]-N-(2-methylpropyl)pyrazine-2-carboxamide

C17H22N4O — CID 109272750

IUPAC5-[(4-methylphenyl)methylamino]-N-(2-methylpropyl)pyrazine-2-carboxamide
SMILESCc1ccc(CNc2cnc(C(=O)NCC(C)C)cn2)cc1
InChIInChI=1S/C17H22N4O/c1-12(2)8-21-17(22)15-10-20-16(11-18-15)19-9-14-6-4-13(3)5-7-14/h4-7,10-12H,8-9H2,1-3H3,(H,19,20)(H,21,22)
InChIKeyGGERHHAUGVAXBU-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.78
Rot. Bonds6

About 5-[(4-methylphenyl)methylamino]-N-(2-methylpropyl)pyrazine-2-carboxamide

5-[(4-methylphenyl)methylamino]-N-(2-methylpropyl)pyrazine-2-carboxamide (PubChem CID 109272750) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is 5-[(4-methylphenyl)methylamino]-N-(2-methylpropyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-[(4-methylphenyl)methylamino]-N-(2-methylpropyl)pyrazine-2-carboxamide
PubChem CID109272750
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC Name5-[(4-methylphenyl)methylamino]-N-(2-methylpropyl)pyrazine-2-carboxamide
SMILESCc1ccc(CNc2cnc(C(=O)NCC(C)C)cn2)cc1
InChIInChI=1S/C17H22N4O/c1-12(2)8-21-17(22)15-10-20-16(11-18-15)19-9-14-6-4-13(3)5-7-14/h4-7,10-12H,8-9H2,1-3H3,(H,19,20)(H,21,22)
InChIKeyGGERHHAUGVAXBU-UHFFFAOYSA-N
XLogP2.78
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-[(4-methylphenyl)methylamino]-N-(2-methylpropyl)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-[(2-methylphenyl)methyl]-5-[(4-methylphenyl)methylamino]pyrazine-2-carboxamide
CID 109279954
N-[(2-chlorophenyl)methyl]-5-[(4-methylphenyl)methylamino]pyrazine-2-carboxamide
CID 109280627
N,N-diethyl-5-[(4-methylphenyl)methylamino]pyrazine-2-carboxamide
CID 109280656
5-(butylamino)-N-(2-methylpropyl)pyrazine-2-carboxamide
CID 109272533
5-[(2-methoxyphenyl)methylamino]-N-(2-methylpropyl)pyrazine-2-carboxamide
CID 109272757
N-[(4-chlorophenyl)methyl]-5-[(4-chlorophenyl)methylamino]pyrazine-2-carboxamide
CID 109281984
N-(2-methylpropyl)-5-(pentylamino)pyrazine-2-carboxamide
CID 109272804
5-[2-(dimethylamino)ethylamino]-N-(2-methylpropyl)pyrazine-2-carboxamide
CID 109272739
N-benzyl-5-(benzylamino)pyrazine-2-carboxamide
CID 109279637
5-[3-(dimethylamino)propylamino]-N-(2-methylpropyl)pyrazine-2-carboxamide
CID 109272741
N-(2,3-dichlorophenyl)-5-[(4-methylphenyl)methylamino]pyrazine-2-carboxamide
CID 109280745
5-(cyclopropylamino)-N-[(4-methylphenyl)methyl]pyrazine-2-carboxamide
CID 109271773

Frequently Asked Questions

What is the IUPAC name of 5-[(4-methylphenyl)methylamino]-N-(2-methylpropyl)pyrazine-2-carboxamide?
The IUPAC name of 5-[(4-methylphenyl)methylamino]-N-(2-methylpropyl)pyrazine-2-carboxamide (CID 109272750) is 5-[(4-methylphenyl)methylamino]-N-(2-methylpropyl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-[(4-methylphenyl)methylamino]-N-(2-methylpropyl)pyrazine-2-carboxamide?
The canonical SMILES for 5-[(4-methylphenyl)methylamino]-N-(2-methylpropyl)pyrazine-2-carboxamide is Cc1ccc(CNc2cnc(C(=O)NCC(C)C)cn2)cc1.
What is the InChIKey of 5-[(4-methylphenyl)methylamino]-N-(2-methylpropyl)pyrazine-2-carboxamide?
The InChIKey is GGERHHAUGVAXBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c1-12(2)8-21-17(22)15-10-20-16(11-18-15)19-9-14-6-4-13(3)5-7-14/h4-7,10-12H,8-9H2,1-3H3,(H,19,20)(H,21,22).
What are the key properties of 5-[(4-methylphenyl)methylamino]-N-(2-methylpropyl)pyrazine-2-carboxamide?
5-[(4-methylphenyl)methylamino]-N-(2-methylpropyl)pyrazine-2-carboxamide has a molecular weight of 298.39 g/mol, XLogP of 2.78, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methylphenyl)methylamino]-N-(2-methylpropyl)pyrazine-2-carboxamide is sourced from PubChem (CID 109272750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).