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

C16H18N4O — CID 109271771

IUPAC5-(cyclopropylamino)-N-[(2-methylphenyl)methyl]pyrazine-2-carboxamide
SMILESCc1ccccc1CNC(=O)c1cnc(NC2CC2)cn1
InChIInChI=1S/C16H18N4O/c1-11-4-2-3-5-12(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)
InChIKeyOWOOMRHWXOUJIZ-UHFFFAOYSA-N
MW282.35 g/mol
LogP2.29
Rot. Bonds5

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

5-(cyclopropylamino)-N-[(2-methylphenyl)methyl]pyrazine-2-carboxamide (PubChem CID 109271771) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is 5-(cyclopropylamino)-N-[(2-methylphenyl)methyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(cyclopropylamino)-N-[(2-methylphenyl)methyl]pyrazine-2-carboxamide
PubChem CID109271771
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC Name5-(cyclopropylamino)-N-[(2-methylphenyl)methyl]pyrazine-2-carboxamide
SMILESCc1ccccc1CNC(=O)c1cnc(NC2CC2)cn1
InChIInChI=1S/C16H18N4O/c1-11-4-2-3-5-12(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)
InChIKeyOWOOMRHWXOUJIZ-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

5-(cycloheptylamino)-N-[(2-methylphenyl)methyl]pyrazine-2-carboxamide
CID 109279992
6-(cyclopentylamino)-N-[(2-methylphenyl)methyl]pyridazine-3-carboxamide
CID 109112095
5-(cyclopropylamino)-N-[(4-methylphenyl)methyl]pyrazine-2-carboxamide
CID 109271773
N-[(2-methylphenyl)methyl]-5-(2,4,6-trimethylanilino)pyrazine-2-carboxamide
CID 109280021
6-(cyclohexylamino)-2-methyl-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109363787
5-(2,3-dimethylanilino)-N-[(2-methylphenyl)methyl]pyrazine-2-carboxamide
CID 109280014
N-[(2-methylphenyl)methyl]-5-[(4-methylphenyl)methylamino]pyrazine-2-carboxamide
CID 109279954
5-(2-bromoanilino)-N-[(2-methylphenyl)methyl]pyrazine-2-carboxamide
CID 109280063
5-(4-acetylanilino)-N-[(2-methylphenyl)methyl]pyrazine-2-carboxamide
CID 109280053
5-(cyclopropylamino)-N-(2,6-diethylphenyl)pyrazine-2-carboxamide
CID 109271857
N-[(2-methylphenyl)methyl]-5-(3-phenylpropylamino)pyrazine-2-carboxamide
CID 109279989
2-(cyclopentylamino)-N-[(2-methylphenyl)methyl]pyrimidine-5-carboxamide
CID 109249729

Frequently Asked Questions

What is the IUPAC name of 5-(cyclopropylamino)-N-[(2-methylphenyl)methyl]pyrazine-2-carboxamide?
The IUPAC name of 5-(cyclopropylamino)-N-[(2-methylphenyl)methyl]pyrazine-2-carboxamide (CID 109271771) is 5-(cyclopropylamino)-N-[(2-methylphenyl)methyl]pyrazine-2-carboxamide.
What is the SMILES notation for 5-(cyclopropylamino)-N-[(2-methylphenyl)methyl]pyrazine-2-carboxamide?
The canonical SMILES for 5-(cyclopropylamino)-N-[(2-methylphenyl)methyl]pyrazine-2-carboxamide is Cc1ccccc1CNC(=O)c1cnc(NC2CC2)cn1.
What is the InChIKey of 5-(cyclopropylamino)-N-[(2-methylphenyl)methyl]pyrazine-2-carboxamide?
The InChIKey is OWOOMRHWXOUJIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O/c1-11-4-2-3-5-12(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-[(2-methylphenyl)methyl]pyrazine-2-carboxamide?
5-(cyclopropylamino)-N-[(2-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-[(2-methylphenyl)methyl]pyrazine-2-carboxamide is sourced from PubChem (CID 109271771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).