N-benzyl-5-(benzylamino)pyrazine-2-carboxamide

C19H18N4O — CID 109279637

IUPACN-benzyl-5-(benzylamino)pyrazine-2-carboxamide
SMILESO=C(NCc1ccccc1)c1cnc(NCc2ccccc2)cn1
InChIInChI=1S/C19H18N4O/c24-19(23-12-16-9-5-2-6-10-16)17-13-22-18(14-20-17)21-11-15-7-3-1-4-8-15/h1-10,13-14H,11-12H2,(H,21,22)(H,23,24)
InChIKeyMCPTUJYHMCMLCF-UHFFFAOYSA-N
MW318.38 g/mol
LogP3.02
Rot. Bonds6

About N-benzyl-5-(benzylamino)pyrazine-2-carboxamide

N-benzyl-5-(benzylamino)pyrazine-2-carboxamide (PubChem CID 109279637) has the molecular formula C19H18N4O and a molecular weight of 318.38 g/mol. Its IUPAC name is N-benzyl-5-(benzylamino)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-5-(benzylamino)pyrazine-2-carboxamide
PubChem CID109279637
Molecular FormulaC19H18N4O
Molecular Weight318.38 g/mol
Exact Mass318.15
IUPAC NameN-benzyl-5-(benzylamino)pyrazine-2-carboxamide
SMILESO=C(NCc1ccccc1)c1cnc(NCc2ccccc2)cn1
InChIInChI=1S/C19H18N4O/c24-19(23-12-16-9-5-2-6-10-16)17-13-22-18(14-20-17)21-11-15-7-3-1-4-8-15/h1-10,13-14H,11-12H2,(H,21,22)(H,23,24)
InChIKeyMCPTUJYHMCMLCF-UHFFFAOYSA-N
XLogP3.02
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-chlorophenyl)methyl]-5-[(4-chlorophenyl)methylamino]pyrazine-2-carboxamide
CID 109281984
5-(benzylamino)-N-[3-(dimethylamino)propyl]pyrazine-2-carboxamide
CID 109277739
5-[(4-fluorophenyl)methylamino]-N-(2-phenylethyl)pyrazine-2-carboxamide
CID 109281675
5-[(4-chlorophenyl)methylamino]-N-(3-phenylpropyl)pyrazine-2-carboxamide
CID 109282099
5-(benzylamino)-N-(2,6-dimethylphenyl)pyrazine-2-carboxamide
CID 109279863
5-(benzylamino)-N-[2-(trifluoromethyl)phenyl]pyrazine-2-carboxamide
CID 109279902
N-[(2-methylphenyl)methyl]-5-[(4-methylphenyl)methylamino]pyrazine-2-carboxamide
CID 109279954
N-benzyl-5-(2-morpholin-4-ylethylamino)pyrazine-2-carboxamide
CID 109277602
N-(pyridin-2-ylmethyl)-5-(pyridin-2-ylmethylamino)pyrazine-2-carboxamide
CID 109282922
N-[(2-chlorophenyl)methyl]-5-[(4-methylphenyl)methylamino]pyrazine-2-carboxamide
CID 109280627
N-benzyl-5-(2,3-dimethylanilino)pyrazine-2-carboxamide
CID 109279707
N-[(4-fluorophenyl)methyl]-5-[(4-methoxyphenyl)methylamino]pyrazine-2-carboxamide
CID 109281544

Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-(benzylamino)pyrazine-2-carboxamide?
The IUPAC name of N-benzyl-5-(benzylamino)pyrazine-2-carboxamide (CID 109279637) is N-benzyl-5-(benzylamino)pyrazine-2-carboxamide.
What is the SMILES notation for N-benzyl-5-(benzylamino)pyrazine-2-carboxamide?
The canonical SMILES for N-benzyl-5-(benzylamino)pyrazine-2-carboxamide is O=C(NCc1ccccc1)c1cnc(NCc2ccccc2)cn1.
What is the InChIKey of N-benzyl-5-(benzylamino)pyrazine-2-carboxamide?
The InChIKey is MCPTUJYHMCMLCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O/c24-19(23-12-16-9-5-2-6-10-16)17-13-22-18(14-20-17)21-11-15-7-3-1-4-8-15/h1-10,13-14H,11-12H2,(H,21,22)(H,23,24).
What are the key properties of N-benzyl-5-(benzylamino)pyrazine-2-carboxamide?
N-benzyl-5-(benzylamino)pyrazine-2-carboxamide has a molecular weight of 318.38 g/mol, XLogP of 3.02, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-(benzylamino)pyrazine-2-carboxamide is sourced from PubChem (CID 109279637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).