N-benzyl-5-(2,3-dimethylanilino)pyrazine-2-carboxamide

C20H20N4O — CID 109279707

IUPACN-benzyl-5-(2,3-dimethylanilino)pyrazine-2-carboxamide
SMILESCc1cccc(Nc2cnc(C(=O)NCc3ccccc3)cn2)c1C
InChIInChI=1S/C20H20N4O/c1-14-7-6-10-17(15(14)2)24-19-13-21-18(12-22-19)20(25)23-11-16-8-4-3-5-9-16/h3-10,12-13H,11H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyLNUHUPBFFOGZRD-UHFFFAOYSA-N
MW332.41 g/mol
LogP3.77
Rot. Bonds5

About N-benzyl-5-(2,3-dimethylanilino)pyrazine-2-carboxamide

N-benzyl-5-(2,3-dimethylanilino)pyrazine-2-carboxamide (PubChem CID 109279707) has the molecular formula C20H20N4O and a molecular weight of 332.41 g/mol. Its IUPAC name is N-benzyl-5-(2,3-dimethylanilino)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-5-(2,3-dimethylanilino)pyrazine-2-carboxamide
PubChem CID109279707
Molecular FormulaC20H20N4O
Molecular Weight332.41 g/mol
Exact Mass332.16
IUPAC NameN-benzyl-5-(2,3-dimethylanilino)pyrazine-2-carboxamide
SMILESCc1cccc(Nc2cnc(C(=O)NCc3ccccc3)cn2)c1C
InChIInChI=1S/C20H20N4O/c1-14-7-6-10-17(15(14)2)24-19-13-21-18(12-22-19)20(25)23-11-16-8-4-3-5-9-16/h3-10,12-13H,11H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyLNUHUPBFFOGZRD-UHFFFAOYSA-N
XLogP3.77
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 ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2,3-dimethylanilino)-N-[(2-methylphenyl)methyl]pyrazine-2-carboxamide
CID 109280014
N-[(3,4-dimethoxyphenyl)methyl]-5-(2,3-dimethylanilino)pyrazine-2-carboxamide
CID 109285896
N-benzyl-5-(2,3-dimethylanilino)-N-propan-2-ylpyrazine-2-carboxamide
CID 109287672
N-benzyl-5-(2-methoxyanilino)pyrazine-2-carboxamide
CID 109279734
5-(2,3-dimethylanilino)-N-pentylpyrazine-2-carboxamide
CID 109288020
N-[2-(4-chlorophenyl)ethyl]-5-(2,3-dimethylanilino)pyrazine-2-carboxamide
CID 109285792
5-(2,3-dimethylanilino)-N-(2-ethylphenyl)pyrazine-2-carboxamide
CID 109291406
N-(2-chlorophenyl)-5-(2,3-dimethylanilino)pyrazine-2-carboxamide
CID 109291413
N-benzyl-5-(benzylamino)pyrazine-2-carboxamide
CID 109279637
5-(2-bromoanilino)-N-[(2-methylphenyl)methyl]pyrazine-2-carboxamide
CID 109280063
5-(2,3-dimethylanilino)-N-(2-methoxyphenyl)pyrazine-2-carboxamide
CID 109291424
N-[(2-fluorophenyl)methyl]-5-(2-methylanilino)pyrazine-2-carboxamide
CID 109281332

Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-(2,3-dimethylanilino)pyrazine-2-carboxamide?
The IUPAC name of N-benzyl-5-(2,3-dimethylanilino)pyrazine-2-carboxamide (CID 109279707) is N-benzyl-5-(2,3-dimethylanilino)pyrazine-2-carboxamide.
What is the SMILES notation for N-benzyl-5-(2,3-dimethylanilino)pyrazine-2-carboxamide?
The canonical SMILES for N-benzyl-5-(2,3-dimethylanilino)pyrazine-2-carboxamide is Cc1cccc(Nc2cnc(C(=O)NCc3ccccc3)cn2)c1C.
What is the InChIKey of N-benzyl-5-(2,3-dimethylanilino)pyrazine-2-carboxamide?
The InChIKey is LNUHUPBFFOGZRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O/c1-14-7-6-10-17(15(14)2)24-19-13-21-18(12-22-19)20(25)23-11-16-8-4-3-5-9-16/h3-10,12-13H,11H2,1-2H3,(H,22,24)(H,23,25).
What are the key properties of N-benzyl-5-(2,3-dimethylanilino)pyrazine-2-carboxamide?
N-benzyl-5-(2,3-dimethylanilino)pyrazine-2-carboxamide has a molecular weight of 332.41 g/mol, XLogP of 3.77, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-(2,3-dimethylanilino)pyrazine-2-carboxamide is sourced from PubChem (CID 109279707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).