N-(2,3-dimethylphenyl)-5-pyrrolidin-1-ylpyrazine-2-carboxamide

C17H20N4O — CID 109273787

IUPACN-(2,3-dimethylphenyl)-5-pyrrolidin-1-ylpyrazine-2-carboxamide
SMILESCc1cccc(NC(=O)c2cnc(N3CCCC3)cn2)c1C
InChIInChI=1S/C17H20N4O/c1-12-6-5-7-14(13(12)2)20-17(22)15-10-19-16(11-18-15)21-8-3-4-9-21/h5-7,10-11H,3-4,8-9H2,1-2H3,(H,20,22)
InChIKeyHMRXFSOOOLDFPW-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.95
Rot. Bonds3

About N-(2,3-dimethylphenyl)-5-pyrrolidin-1-ylpyrazine-2-carboxamide

N-(2,3-dimethylphenyl)-5-pyrrolidin-1-ylpyrazine-2-carboxamide (PubChem CID 109273787) has the molecular formula C17H20N4O and a molecular weight of 296.37 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-5-pyrrolidin-1-ylpyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-5-pyrrolidin-1-ylpyrazine-2-carboxamide
PubChem CID109273787
Molecular FormulaC17H20N4O
Molecular Weight296.37 g/mol
Exact Mass296.16
IUPAC NameN-(2,3-dimethylphenyl)-5-pyrrolidin-1-ylpyrazine-2-carboxamide
SMILESCc1cccc(NC(=O)c2cnc(N3CCCC3)cn2)c1C
InChIInChI=1S/C17H20N4O/c1-12-6-5-7-14(13(12)2)20-17(22)15-10-19-16(11-18-15)21-8-3-4-9-21/h5-7,10-11H,3-4,8-9H2,1-2H3,(H,20,22)
InChIKeyHMRXFSOOOLDFPW-UHFFFAOYSA-N
XLogP2.95
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,3-dimethylphenyl)-5-methylpyrazine-2-carboxamide
CID 16613943
N-(2-fluorophenyl)-5-pyrrolidin-1-ylpyrazine-2-carboxamide
CID 109273799
N-(2-methoxyphenyl)-5-pyrrolidin-1-ylpyrazine-2-carboxamide
CID 109273814
5-(azepan-1-yl)-N-(2,5-dimethylphenyl)pyrazine-2-carboxamide
CID 109289319
5-(azepan-1-yl)-N-(2-methoxyphenyl)pyrazine-2-carboxamide
CID 109289350
N-(2,6-dichlorophenyl)-5-piperidin-1-ylpyrazine-2-carboxamide
CID 109274621
N-(2,6-dimethylphenyl)-5-(4-phenylpiperazin-1-yl)pyrazine-2-carboxamide
CID 109285561
N-(2,3-dimethylphenyl)-5-(4-phenylpiperazin-1-yl)pyridine-2-carboxamide
CID 109193453
5-(cycloheptylamino)-N-(2,3-dimethylphenyl)pyrazine-2-carboxamide
CID 109287578
5-(cyclopropylamino)-N-(2,3-dimethylphenyl)pyrazine-2-carboxamide
CID 109271849
6-(4-acetylpiperazin-1-yl)-N-(2,3-dimethylphenyl)pyridine-3-carboxamide
CID 109155117
N-(2,3-dimethylphenyl)pyrazine-2-carboxamide
CID 694797

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-5-pyrrolidin-1-ylpyrazine-2-carboxamide?
The IUPAC name of N-(2,3-dimethylphenyl)-5-pyrrolidin-1-ylpyrazine-2-carboxamide (CID 109273787) is N-(2,3-dimethylphenyl)-5-pyrrolidin-1-ylpyrazine-2-carboxamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-5-pyrrolidin-1-ylpyrazine-2-carboxamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-5-pyrrolidin-1-ylpyrazine-2-carboxamide is Cc1cccc(NC(=O)c2cnc(N3CCCC3)cn2)c1C.
What is the InChIKey of N-(2,3-dimethylphenyl)-5-pyrrolidin-1-ylpyrazine-2-carboxamide?
The InChIKey is HMRXFSOOOLDFPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O/c1-12-6-5-7-14(13(12)2)20-17(22)15-10-19-16(11-18-15)21-8-3-4-9-21/h5-7,10-11H,3-4,8-9H2,1-2H3,(H,20,22).
What are the key properties of N-(2,3-dimethylphenyl)-5-pyrrolidin-1-ylpyrazine-2-carboxamide?
N-(2,3-dimethylphenyl)-5-pyrrolidin-1-ylpyrazine-2-carboxamide has a molecular weight of 296.37 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-5-pyrrolidin-1-ylpyrazine-2-carboxamide is sourced from PubChem (CID 109273787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).