5-[(3-methylphenyl)methylamino]-N-(2-methyl-6-propan-2-ylphenyl)pyrazine-2-carboxamide

C23H26N4O — CID 109280424

IUPAC5-[(3-methylphenyl)methylamino]-N-(2-methyl-6-propan-2-ylphenyl)pyrazine-2-carboxamide
SMILESCc1cccc(CNc2cnc(C(=O)Nc3c(C)cccc3C(C)C)cn2)c1
InChIInChI=1S/C23H26N4O/c1-15(2)19-10-6-8-17(4)22(19)27-23(28)20-13-26-21(14-24-20)25-12-18-9-5-7-16(3)11-18/h5-11,13-15H,12H2,1-4H3,(H,25,26)(H,27,28)
InChIKeyPBCWASZNGTYFAI-UHFFFAOYSA-N
MW374.49 g/mol
LogP5.08
Rot. Bonds6

About 5-[(3-methylphenyl)methylamino]-N-(2-methyl-6-propan-2-ylphenyl)pyrazine-2-carboxamide

5-[(3-methylphenyl)methylamino]-N-(2-methyl-6-propan-2-ylphenyl)pyrazine-2-carboxamide (PubChem CID 109280424) has the molecular formula C23H26N4O and a molecular weight of 374.49 g/mol. Its IUPAC name is 5-[(3-methylphenyl)methylamino]-N-(2-methyl-6-propan-2-ylphenyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-[(3-methylphenyl)methylamino]-N-(2-methyl-6-propan-2-ylphenyl)pyrazine-2-carboxamide
PubChem CID109280424
Molecular FormulaC23H26N4O
Molecular Weight374.49 g/mol
Exact Mass374.21
IUPAC Name5-[(3-methylphenyl)methylamino]-N-(2-methyl-6-propan-2-ylphenyl)pyrazine-2-carboxamide
SMILESCc1cccc(CNc2cnc(C(=O)Nc3c(C)cccc3C(C)C)cn2)c1
InChIInChI=1S/C23H26N4O/c1-15(2)19-10-6-8-17(4)22(19)27-23(28)20-13-26-21(14-24-20)25-12-18-9-5-7-16(3)11-18/h5-11,13-15H,12H2,1-4H3,(H,25,26)(H,27,28)
InChIKeyPBCWASZNGTYFAI-UHFFFAOYSA-N
XLogP5.08
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.49
LogP ≤ 55.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(3-methylphenyl)methylamino]-N-(4-propan-2-ylphenyl)pyrazine-2-carboxamide
CID 109280422
N-(2,3-dimethylphenyl)-5-[(3-methylphenyl)methylamino]pyrazine-2-carboxamide
CID 109280416
5-(benzylamino)-N-(2,6-dimethylphenyl)pyrazine-2-carboxamide
CID 109279863
5-hydrazinyl-N-(2-methyl-6-propan-2-ylphenyl)pyrazine-2-carboxamide
CID 107377417
5-[2-(4-fluorophenyl)ethylamino]-N-(2-methyl-6-propan-2-ylphenyl)pyrazine-2-carboxamide
CID 109284540
N-(4-chlorophenyl)-5-[(3-methylphenyl)methylamino]pyrazine-2-carboxamide
CID 109280431
5-(butan-2-ylamino)-N-(2-methyl-6-propan-2-ylphenyl)pyrazine-2-carboxamide
CID 109273413
N-(2,6-dimethylphenyl)-5-[(3-methylphenyl)methylamino]pyridine-2-carboxamide
CID 109188543
N-(2,5-dichlorophenyl)-5-[(3-methylphenyl)methylamino]pyrazine-2-carboxamide
CID 109280476
5-(cyclopentylamino)-N-(2-methyl-6-propan-2-ylphenyl)pyrazine-2-carboxamide
CID 109274174
N-(2-cyanophenyl)-5-[(3-methylphenyl)methylamino]pyrazine-2-carboxamide
CID 109280482
5-(3-methoxyanilino)-N-(2-methyl-6-propan-2-ylphenyl)pyrazine-2-carboxamide
CID 109292193

Frequently Asked Questions

What is the IUPAC name of 5-[(3-methylphenyl)methylamino]-N-(2-methyl-6-propan-2-ylphenyl)pyrazine-2-carboxamide?
The IUPAC name of 5-[(3-methylphenyl)methylamino]-N-(2-methyl-6-propan-2-ylphenyl)pyrazine-2-carboxamide (CID 109280424) is 5-[(3-methylphenyl)methylamino]-N-(2-methyl-6-propan-2-ylphenyl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-[(3-methylphenyl)methylamino]-N-(2-methyl-6-propan-2-ylphenyl)pyrazine-2-carboxamide?
The canonical SMILES for 5-[(3-methylphenyl)methylamino]-N-(2-methyl-6-propan-2-ylphenyl)pyrazine-2-carboxamide is Cc1cccc(CNc2cnc(C(=O)Nc3c(C)cccc3C(C)C)cn2)c1.
What is the InChIKey of 5-[(3-methylphenyl)methylamino]-N-(2-methyl-6-propan-2-ylphenyl)pyrazine-2-carboxamide?
The InChIKey is PBCWASZNGTYFAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O/c1-15(2)19-10-6-8-17(4)22(19)27-23(28)20-13-26-21(14-24-20)25-12-18-9-5-7-16(3)11-18/h5-11,13-15H,12H2,1-4H3,(H,25,26)(H,27,28).
What are the key properties of 5-[(3-methylphenyl)methylamino]-N-(2-methyl-6-propan-2-ylphenyl)pyrazine-2-carboxamide?
5-[(3-methylphenyl)methylamino]-N-(2-methyl-6-propan-2-ylphenyl)pyrazine-2-carboxamide has a molecular weight of 374.49 g/mol, XLogP of 5.08, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-methylphenyl)methylamino]-N-(2-methyl-6-propan-2-ylphenyl)pyrazine-2-carboxamide is sourced from PubChem (CID 109280424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).