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

C21H22N4O — CID 109279954

IUPACN-[(2-methylphenyl)methyl]-5-[(4-methylphenyl)methylamino]pyrazine-2-carboxamide
SMILESCc1ccc(CNc2cnc(C(=O)NCc3ccccc3C)cn2)cc1
InChIInChI=1S/C21H22N4O/c1-15-7-9-17(10-8-15)11-23-20-14-22-19(13-24-20)21(26)25-12-18-6-4-3-5-16(18)2/h3-10,13-14H,11-12H2,1-2H3,(H,23,24)(H,25,26)
InChIKeyBCZQWKSBDRUIIF-UHFFFAOYSA-N
MW346.43 g/mol
LogP3.64
Rot. Bonds6

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

N-[(2-methylphenyl)methyl]-5-[(4-methylphenyl)methylamino]pyrazine-2-carboxamide (PubChem CID 109279954) has the molecular formula C21H22N4O and a molecular weight of 346.43 g/mol. Its IUPAC name is N-[(2-methylphenyl)methyl]-5-[(4-methylphenyl)methylamino]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[(2-methylphenyl)methyl]-5-[(4-methylphenyl)methylamino]pyrazine-2-carboxamide
PubChem CID109279954
Molecular FormulaC21H22N4O
Molecular Weight346.43 g/mol
Exact Mass346.18
IUPAC NameN-[(2-methylphenyl)methyl]-5-[(4-methylphenyl)methylamino]pyrazine-2-carboxamide
SMILESCc1ccc(CNc2cnc(C(=O)NCc3ccccc3C)cn2)cc1
InChIInChI=1S/C21H22N4O/c1-15-7-9-17(10-8-15)11-23-20-14-22-19(13-24-20)21(26)25-12-18-6-4-3-5-16(18)2/h3-10,13-14H,11-12H2,1-2H3,(H,23,24)(H,25,26)
InChIKeyBCZQWKSBDRUIIF-UHFFFAOYSA-N
XLogP3.64
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(2-methylphenyl)methyl]-5-[(4-methylphenyl)methylamino]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-chlorophenyl)methyl]-5-[(4-methylphenyl)methylamino]pyrazine-2-carboxamide
CID 109280627
N-[(2-methylphenyl)methyl]-5-(3-phenylpropylamino)pyrazine-2-carboxamide
CID 109279989
2-methyl-N-[(2-methylphenyl)methyl]-6-[(4-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109368604
N-benzyl-5-(benzylamino)pyrazine-2-carboxamide
CID 109279637
5-[(4-methylphenyl)methylamino]-N-(2-methylpropyl)pyrazine-2-carboxamide
CID 109272750
N-[(2-methylphenyl)methyl]-5-(2,4,6-trimethylanilino)pyrazine-2-carboxamide
CID 109280021
N-[(2-methylphenyl)methyl]-4-[(4-methylphenyl)methylamino]pyridine-2-carboxamide
CID 109209919
5-(cyclopropylamino)-N-[(2-methylphenyl)methyl]pyrazine-2-carboxamide
CID 109271771
N-(2,5-dimethylphenyl)-5-[(2-methylphenyl)methylamino]pyrazine-2-carboxamide
CID 109280144
5-(2,3-dimethylanilino)-N-[(2-methylphenyl)methyl]pyrazine-2-carboxamide
CID 109280014
5-[2-(4-methoxyphenoxy)ethylamino]-N-[(2-methylphenyl)methyl]pyrazine-2-carboxamide
CID 109279990
5-(cycloheptylamino)-N-[(2-methylphenyl)methyl]pyrazine-2-carboxamide
CID 109279992

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylphenyl)methyl]-5-[(4-methylphenyl)methylamino]pyrazine-2-carboxamide?
The IUPAC name of N-[(2-methylphenyl)methyl]-5-[(4-methylphenyl)methylamino]pyrazine-2-carboxamide (CID 109279954) is N-[(2-methylphenyl)methyl]-5-[(4-methylphenyl)methylamino]pyrazine-2-carboxamide.
What is the SMILES notation for N-[(2-methylphenyl)methyl]-5-[(4-methylphenyl)methylamino]pyrazine-2-carboxamide?
The canonical SMILES for N-[(2-methylphenyl)methyl]-5-[(4-methylphenyl)methylamino]pyrazine-2-carboxamide is Cc1ccc(CNc2cnc(C(=O)NCc3ccccc3C)cn2)cc1.
What is the InChIKey of N-[(2-methylphenyl)methyl]-5-[(4-methylphenyl)methylamino]pyrazine-2-carboxamide?
The InChIKey is BCZQWKSBDRUIIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O/c1-15-7-9-17(10-8-15)11-23-20-14-22-19(13-24-20)21(26)25-12-18-6-4-3-5-16(18)2/h3-10,13-14H,11-12H2,1-2H3,(H,23,24)(H,25,26).
What are the key properties of N-[(2-methylphenyl)methyl]-5-[(4-methylphenyl)methylamino]pyrazine-2-carboxamide?
N-[(2-methylphenyl)methyl]-5-[(4-methylphenyl)methylamino]pyrazine-2-carboxamide has a molecular weight of 346.43 g/mol, XLogP of 3.64, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylphenyl)methyl]-5-[(4-methylphenyl)methylamino]pyrazine-2-carboxamide is sourced from PubChem (CID 109279954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).