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

C16H18N4O — CID 109271773

IUPAC5-(cyclopropylamino)-N-[(4-methylphenyl)methyl]pyrazine-2-carboxamide
SMILESCc1ccc(CNC(=O)c2cnc(NC3CC3)cn2)cc1
InChIInChI=1S/C16H18N4O/c1-11-2-4-12(5-3-11)8-19-16(21)14-9-18-15(10-17-14)20-13-6-7-13/h2-5,9-10,13H,6-8H2,1H3,(H,18,20)(H,19,21)
InChIKeyJXCDBCOVKZOVJG-UHFFFAOYSA-N
MW282.35 g/mol
LogP2.29
Rot. Bonds5

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

5-(cyclopropylamino)-N-[(4-methylphenyl)methyl]pyrazine-2-carboxamide (PubChem CID 109271773) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is 5-(cyclopropylamino)-N-[(4-methylphenyl)methyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(cyclopropylamino)-N-[(4-methylphenyl)methyl]pyrazine-2-carboxamide
PubChem CID109271773
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC Name5-(cyclopropylamino)-N-[(4-methylphenyl)methyl]pyrazine-2-carboxamide
SMILESCc1ccc(CNC(=O)c2cnc(NC3CC3)cn2)cc1
InChIInChI=1S/C16H18N4O/c1-11-2-4-12(5-3-11)8-19-16(21)14-9-18-15(10-17-14)20-13-6-7-13/h2-5,9-10,13H,6-8H2,1H3,(H,18,20)(H,19,21)
InChIKeyJXCDBCOVKZOVJG-UHFFFAOYSA-N
XLogP2.29
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(cyclopropylamino)-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109339048
5-(cyclohexylamino)-N-(pyridin-4-ylmethyl)pyrazine-2-carboxamide
CID 109274849
5-(cyclopropylamino)-N-[(2-methylphenyl)methyl]pyrazine-2-carboxamide
CID 109271771
6-(cyclopropylamino)-2-methyl-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109360790
5-(cycloheptylamino)-N-[(2-methylphenyl)methyl]pyrazine-2-carboxamide
CID 109279992
2-(cycloheptylamino)-N-[(4-methylphenyl)methyl]pyrimidine-5-carboxamide
CID 109256112
5-[(4-methylphenyl)methylamino]-N-(2-methylpropyl)pyrazine-2-carboxamide
CID 109272750
N-[(2-methylphenyl)methyl]-5-[(4-methylphenyl)methylamino]pyrazine-2-carboxamide
CID 109279954
5-(cycloheptylamino)-N-(2-methylpropyl)pyrazine-2-carboxamide
CID 109272801
5-(cyclopropylamino)-N-[2-(4-methoxyphenoxy)ethyl]pyrazine-2-carboxamide
CID 109271821
5-[2-(1H-indol-3-yl)ethylamino]-N-[(4-methylphenyl)methyl]pyrazine-2-carboxamide
CID 109280515
N-[(2-chlorophenyl)methyl]-5-[(4-methylphenyl)methylamino]pyrazine-2-carboxamide
CID 109280627

Frequently Asked Questions

What is the IUPAC name of 5-(cyclopropylamino)-N-[(4-methylphenyl)methyl]pyrazine-2-carboxamide?
The IUPAC name of 5-(cyclopropylamino)-N-[(4-methylphenyl)methyl]pyrazine-2-carboxamide (CID 109271773) is 5-(cyclopropylamino)-N-[(4-methylphenyl)methyl]pyrazine-2-carboxamide.
What is the SMILES notation for 5-(cyclopropylamino)-N-[(4-methylphenyl)methyl]pyrazine-2-carboxamide?
The canonical SMILES for 5-(cyclopropylamino)-N-[(4-methylphenyl)methyl]pyrazine-2-carboxamide is Cc1ccc(CNC(=O)c2cnc(NC3CC3)cn2)cc1.
What is the InChIKey of 5-(cyclopropylamino)-N-[(4-methylphenyl)methyl]pyrazine-2-carboxamide?
The InChIKey is JXCDBCOVKZOVJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O/c1-11-2-4-12(5-3-11)8-19-16(21)14-9-18-15(10-17-14)20-13-6-7-13/h2-5,9-10,13H,6-8H2,1H3,(H,18,20)(H,19,21).
What are the key properties of 5-(cyclopropylamino)-N-[(4-methylphenyl)methyl]pyrazine-2-carboxamide?
5-(cyclopropylamino)-N-[(4-methylphenyl)methyl]pyrazine-2-carboxamide has a molecular weight of 282.35 g/mol, XLogP of 2.29, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopropylamino)-N-[(4-methylphenyl)methyl]pyrazine-2-carboxamide is sourced from PubChem (CID 109271773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).