5-(cyclopropylamino)-N-(2,3-dimethylphenyl)pyrazine-2-carboxamide

C16H18N4O — CID 109271849

IUPAC5-(cyclopropylamino)-N-(2,3-dimethylphenyl)pyrazine-2-carboxamide
SMILESCc1cccc(NC(=O)c2cnc(NC3CC3)cn2)c1C
InChIInChI=1S/C16H18N4O/c1-10-4-3-5-13(11(10)2)20-16(21)14-8-18-15(9-17-14)19-12-6-7-12/h3-5,8-9,12H,6-7H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyRRBYRCJKKSNSNP-UHFFFAOYSA-N
MW282.35 g/mol
LogP2.92
Rot. Bonds4

About 5-(cyclopropylamino)-N-(2,3-dimethylphenyl)pyrazine-2-carboxamide

5-(cyclopropylamino)-N-(2,3-dimethylphenyl)pyrazine-2-carboxamide (PubChem CID 109271849) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is 5-(cyclopropylamino)-N-(2,3-dimethylphenyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(cyclopropylamino)-N-(2,3-dimethylphenyl)pyrazine-2-carboxamide
PubChem CID109271849
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC Name5-(cyclopropylamino)-N-(2,3-dimethylphenyl)pyrazine-2-carboxamide
SMILESCc1cccc(NC(=O)c2cnc(NC3CC3)cn2)c1C
InChIInChI=1S/C16H18N4O/c1-10-4-3-5-13(11(10)2)20-16(21)14-8-18-15(9-17-14)19-12-6-7-12/h3-5,8-9,12H,6-7H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyRRBYRCJKKSNSNP-UHFFFAOYSA-N
XLogP2.92
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(cycloheptylamino)-N-(2,3-dimethylphenyl)pyrazine-2-carboxamide
CID 109287578
N-(2,3-dimethylphenyl)-5-methylpyrazine-2-carboxamide
CID 16613943
5-(cycloheptylamino)-N-(2,3-dimethylphenyl)pyridine-2-carboxamide
CID 109195369
N-(2,3-dimethylphenyl)-5-(4-methylanilino)pyrazine-2-carboxamide
CID 109290118
5-(cyclopentylamino)-N-(2,3-dichlorophenyl)pyrazine-2-carboxamide
CID 109274247
4-(cyclopropylamino)-N-(2,3-dimethylphenyl)pyridine-2-carboxamide
CID 109201977
5-(cyclopropylamino)-N-(2,6-diethylphenyl)pyrazine-2-carboxamide
CID 109271857
5-(butylamino)-N-(2,3-dimethylphenyl)pyrazine-2-carboxamide
CID 109272632
5-(cyclopentylamino)-N-(2-methyl-6-propan-2-ylphenyl)pyrazine-2-carboxamide
CID 109274174
N-(2-chlorophenyl)-5-(2,3-dimethylanilino)pyrazine-2-carboxamide
CID 109291413
5-(cyclopropylamino)-N-[(2-methylphenyl)methyl]pyrazine-2-carboxamide
CID 109271771
N-(2,3-dimethylphenyl)-5-(3-fluoroanilino)pyrazine-2-carboxamide
CID 109291387

Frequently Asked Questions

What is the IUPAC name of 5-(cyclopropylamino)-N-(2,3-dimethylphenyl)pyrazine-2-carboxamide?
The IUPAC name of 5-(cyclopropylamino)-N-(2,3-dimethylphenyl)pyrazine-2-carboxamide (CID 109271849) is 5-(cyclopropylamino)-N-(2,3-dimethylphenyl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-(cyclopropylamino)-N-(2,3-dimethylphenyl)pyrazine-2-carboxamide?
The canonical SMILES for 5-(cyclopropylamino)-N-(2,3-dimethylphenyl)pyrazine-2-carboxamide is Cc1cccc(NC(=O)c2cnc(NC3CC3)cn2)c1C.
What is the InChIKey of 5-(cyclopropylamino)-N-(2,3-dimethylphenyl)pyrazine-2-carboxamide?
The InChIKey is RRBYRCJKKSNSNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O/c1-10-4-3-5-13(11(10)2)20-16(21)14-8-18-15(9-17-14)19-12-6-7-12/h3-5,8-9,12H,6-7H2,1-2H3,(H,18,19)(H,20,21).
What are the key properties of 5-(cyclopropylamino)-N-(2,3-dimethylphenyl)pyrazine-2-carboxamide?
5-(cyclopropylamino)-N-(2,3-dimethylphenyl)pyrazine-2-carboxamide has a molecular weight of 282.35 g/mol, XLogP of 2.92, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopropylamino)-N-(2,3-dimethylphenyl)pyrazine-2-carboxamide is sourced from PubChem (CID 109271849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).