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

C20H26N4O — CID 109287578

IUPAC5-(cycloheptylamino)-N-(2,3-dimethylphenyl)pyrazine-2-carboxamide
SMILESCc1cccc(NC(=O)c2cnc(NC3CCCCCC3)cn2)c1C
InChIInChI=1S/C20H26N4O/c1-14-8-7-11-17(15(14)2)24-20(25)18-12-22-19(13-21-18)23-16-9-5-3-4-6-10-16/h7-8,11-13,16H,3-6,9-10H2,1-2H3,(H,22,23)(H,24,25)
InChIKeyFMXZGFCMZYPNPN-UHFFFAOYSA-N
MW338.46 g/mol
LogP4.48
Rot. Bonds4

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

5-(cycloheptylamino)-N-(2,3-dimethylphenyl)pyrazine-2-carboxamide (PubChem CID 109287578) has the molecular formula C20H26N4O and a molecular weight of 338.46 g/mol. Its IUPAC name is 5-(cycloheptylamino)-N-(2,3-dimethylphenyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(cycloheptylamino)-N-(2,3-dimethylphenyl)pyrazine-2-carboxamide
PubChem CID109287578
Molecular FormulaC20H26N4O
Molecular Weight338.46 g/mol
Exact Mass338.21
IUPAC Name5-(cycloheptylamino)-N-(2,3-dimethylphenyl)pyrazine-2-carboxamide
SMILESCc1cccc(NC(=O)c2cnc(NC3CCCCCC3)cn2)c1C
InChIInChI=1S/C20H26N4O/c1-14-8-7-11-17(15(14)2)24-20(25)18-12-22-19(13-21-18)23-16-9-5-3-4-6-10-16/h7-8,11-13,16H,3-6,9-10H2,1-2H3,(H,22,23)(H,24,25)
InChIKeyFMXZGFCMZYPNPN-UHFFFAOYSA-N
XLogP4.48
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(cyclopropylamino)-N-(2,3-dimethylphenyl)pyrazine-2-carboxamide
CID 109271849
5-(cycloheptylamino)-N-(2,3-dimethylphenyl)pyridine-2-carboxamide
CID 109195369
5-(cyclopentylamino)-N-(2,3-dichlorophenyl)pyrazine-2-carboxamide
CID 109274247
N-(2,3-dimethylphenyl)-5-methylpyrazine-2-carboxamide
CID 16613943
5-(cyclohexylamino)-N-(3-methylphenyl)pyrazine-2-carboxamide
CID 109274899
5-(cyclopentylamino)-N-(2-methyl-6-propan-2-ylphenyl)pyrazine-2-carboxamide
CID 109274174
N-(2,3-dimethylphenyl)-5-(4-methylanilino)pyrazine-2-carboxamide
CID 109290118
N-(2-bromo-4-methylphenyl)-5-(cyclopentylamino)pyrazine-2-carboxamide
CID 109274228
5-(cycloheptylamino)-N-[(2-methylphenyl)methyl]pyrazine-2-carboxamide
CID 109279992
N-(4-acetamidophenyl)-5-(cyclopentylamino)pyrazine-2-carboxamide
CID 109274209
N-(3-bromophenyl)-5-(cyclohexylamino)pyrazine-2-carboxamide
CID 109274970
5-(butylamino)-N-(2,3-dimethylphenyl)pyrazine-2-carboxamide
CID 109272632

Frequently Asked Questions

What is the IUPAC name of 5-(cycloheptylamino)-N-(2,3-dimethylphenyl)pyrazine-2-carboxamide?
The IUPAC name of 5-(cycloheptylamino)-N-(2,3-dimethylphenyl)pyrazine-2-carboxamide (CID 109287578) is 5-(cycloheptylamino)-N-(2,3-dimethylphenyl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-(cycloheptylamino)-N-(2,3-dimethylphenyl)pyrazine-2-carboxamide?
The canonical SMILES for 5-(cycloheptylamino)-N-(2,3-dimethylphenyl)pyrazine-2-carboxamide is Cc1cccc(NC(=O)c2cnc(NC3CCCCCC3)cn2)c1C.
What is the InChIKey of 5-(cycloheptylamino)-N-(2,3-dimethylphenyl)pyrazine-2-carboxamide?
The InChIKey is FMXZGFCMZYPNPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O/c1-14-8-7-11-17(15(14)2)24-20(25)18-12-22-19(13-21-18)23-16-9-5-3-4-6-10-16/h7-8,11-13,16H,3-6,9-10H2,1-2H3,(H,22,23)(H,24,25).
What are the key properties of 5-(cycloheptylamino)-N-(2,3-dimethylphenyl)pyrazine-2-carboxamide?
5-(cycloheptylamino)-N-(2,3-dimethylphenyl)pyrazine-2-carboxamide has a molecular weight of 338.46 g/mol, XLogP of 4.48, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cycloheptylamino)-N-(2,3-dimethylphenyl)pyrazine-2-carboxamide is sourced from PubChem (CID 109287578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).