5-(benzylamino)-N-(2,6-dimethylphenyl)pyrazine-2-carboxamide

C20H20N4O — CID 109279863

IUPAC5-(benzylamino)-N-(2,6-dimethylphenyl)pyrazine-2-carboxamide
SMILESCc1cccc(C)c1NC(=O)c1cnc(NCc2ccccc2)cn1
InChIInChI=1S/C20H20N4O/c1-14-7-6-8-15(2)19(14)24-20(25)17-12-23-18(13-21-17)22-11-16-9-4-3-5-10-16/h3-10,12-13H,11H2,1-2H3,(H,22,23)(H,24,25)
InChIKeyAKLCWCOMADVHAH-UHFFFAOYSA-N
MW332.41 g/mol
LogP3.96
Rot. Bonds5

About 5-(benzylamino)-N-(2,6-dimethylphenyl)pyrazine-2-carboxamide

5-(benzylamino)-N-(2,6-dimethylphenyl)pyrazine-2-carboxamide (PubChem CID 109279863) has the molecular formula C20H20N4O and a molecular weight of 332.41 g/mol. Its IUPAC name is 5-(benzylamino)-N-(2,6-dimethylphenyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(benzylamino)-N-(2,6-dimethylphenyl)pyrazine-2-carboxamide
PubChem CID109279863
Molecular FormulaC20H20N4O
Molecular Weight332.41 g/mol
Exact Mass332.16
IUPAC Name5-(benzylamino)-N-(2,6-dimethylphenyl)pyrazine-2-carboxamide
SMILESCc1cccc(C)c1NC(=O)c1cnc(NCc2ccccc2)cn1
InChIInChI=1S/C20H20N4O/c1-14-7-6-8-15(2)19(14)24-20(25)17-12-23-18(13-21-17)22-11-16-9-4-3-5-10-16/h3-10,12-13H,11H2,1-2H3,(H,22,23)(H,24,25)
InChIKeyAKLCWCOMADVHAH-UHFFFAOYSA-N
XLogP3.96
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(benzylamino)-N-(2,6-dimethylphenyl)pyridazine-3-carboxamide
CID 109117752
5-[(3-methylphenyl)methylamino]-N-(2-methyl-6-propan-2-ylphenyl)pyrazine-2-carboxamide
CID 109280424
N-benzyl-5-(benzylamino)pyrazine-2-carboxamide
CID 109279637
N-(2-ethyl-6-methylphenyl)-5-(3-phenylpropylamino)pyrazine-2-carboxamide
CID 109287079
5-(benzylamino)-N-(2-methoxyphenyl)pyrazine-2-carboxamide
CID 109279891
N-(2,3-dimethylphenyl)-5-[(3-methylphenyl)methylamino]pyrazine-2-carboxamide
CID 109280416
N-(2,3-dimethylphenyl)-5-[(4-fluorophenyl)methylamino]pyrazine-2-carboxamide
CID 109281720
N-(2-methylphenyl)-5-(2-phenylethylamino)pyrazine-2-carboxamide
CID 109283937
N-(2,6-difluorophenyl)-5-(pyridin-4-ylmethylamino)pyrazine-2-carboxamide
CID 109283780
5-(benzylamino)-N-(2-methoxy-5-methylphenyl)pyrazine-2-carboxamide
CID 109279896
5-(benzylamino)-N-[2-(trifluoromethyl)phenyl]pyrazine-2-carboxamide
CID 109279902
N-[(2-methylphenyl)methyl]-5-[(4-methylphenyl)methylamino]pyrazine-2-carboxamide
CID 109279954

Frequently Asked Questions

What is the IUPAC name of 5-(benzylamino)-N-(2,6-dimethylphenyl)pyrazine-2-carboxamide?
The IUPAC name of 5-(benzylamino)-N-(2,6-dimethylphenyl)pyrazine-2-carboxamide (CID 109279863) is 5-(benzylamino)-N-(2,6-dimethylphenyl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-(benzylamino)-N-(2,6-dimethylphenyl)pyrazine-2-carboxamide?
The canonical SMILES for 5-(benzylamino)-N-(2,6-dimethylphenyl)pyrazine-2-carboxamide is Cc1cccc(C)c1NC(=O)c1cnc(NCc2ccccc2)cn1.
What is the InChIKey of 5-(benzylamino)-N-(2,6-dimethylphenyl)pyrazine-2-carboxamide?
The InChIKey is AKLCWCOMADVHAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O/c1-14-7-6-8-15(2)19(14)24-20(25)17-12-23-18(13-21-17)22-11-16-9-4-3-5-10-16/h3-10,12-13H,11H2,1-2H3,(H,22,23)(H,24,25).
What are the key properties of 5-(benzylamino)-N-(2,6-dimethylphenyl)pyrazine-2-carboxamide?
5-(benzylamino)-N-(2,6-dimethylphenyl)pyrazine-2-carboxamide has a molecular weight of 332.41 g/mol, XLogP of 3.96, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzylamino)-N-(2,6-dimethylphenyl)pyrazine-2-carboxamide is sourced from PubChem (CID 109279863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).