5-[4-(dimethylamino)-1,3-dihydroisoindol-2-yl]-N-methylpyrazine-2-carboxamide

C16H19N5O — CID 167903652

IUPAC5-[4-(dimethylamino)-1,3-dihydroisoindol-2-yl]-N-methylpyrazine-2-carboxamide
SMILESCNC(=O)c1cnc(N2Cc3cccc(N(C)C)c3C2)cn1
InChIInChI=1S/C16H19N5O/c1-17-16(22)13-7-19-15(8-18-13)21-9-11-5-4-6-14(20(2)3)12(11)10-21/h4-8H,9-10H2,1-3H3,(H,17,22)
InChIKeySRORCCALMOQENL-UHFFFAOYSA-N
MW297.36 g/mol
LogP1.42
Rot. Bonds3

About 5-[4-(dimethylamino)-1,3-dihydroisoindol-2-yl]-N-methylpyrazine-2-carboxamide

5-[4-(dimethylamino)-1,3-dihydroisoindol-2-yl]-N-methylpyrazine-2-carboxamide (PubChem CID 167903652) has the molecular formula C16H19N5O and a molecular weight of 297.36 g/mol. Its IUPAC name is 5-[4-(dimethylamino)-1,3-dihydroisoindol-2-yl]-N-methylpyrazine-2-carboxamide.

Molecular Properties

Compound Name5-[4-(dimethylamino)-1,3-dihydroisoindol-2-yl]-N-methylpyrazine-2-carboxamide
PubChem CID167903652
Molecular FormulaC16H19N5O
Molecular Weight297.36 g/mol
Exact Mass297.16
IUPAC Name5-[4-(dimethylamino)-1,3-dihydroisoindol-2-yl]-N-methylpyrazine-2-carboxamide
SMILESCNC(=O)c1cnc(N2Cc3cccc(N(C)C)c3C2)cn1
InChIInChI=1S/C16H19N5O/c1-17-16(22)13-7-19-15(8-18-13)21-9-11-5-4-6-14(20(2)3)12(11)10-21/h4-8H,9-10H2,1-3H3,(H,17,22)
InChIKeySRORCCALMOQENL-UHFFFAOYSA-N
XLogP1.42
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 5-(1,3-dihydroisoindol-2-yl)pyrazine-2-carboxylate
CID 114059785
5-(4-cyano-1,3-dihydroisoindol-2-yl)pyrazine-2-carboxylic acid
CID 166240244
N-(3-acetylphenyl)-5-(4-methylpiperazin-1-yl)pyrazine-2-carboxamide
CID 109278366
methyl 2-(5-methyl-2-pyridinyl)-1,3-dihydroisoindole-4-carboxylate
CID 160567230
5-(azepan-1-yl)-N-[4-(dimethylamino)phenyl]pyrazine-2-carboxamide
CID 109289373
5-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-ethylphenyl)pyrazine-2-carboxamide
CID 109284169
5-(2,2-dimethyl-3,5-dihydro-1,4-benzoxazepin-4-yl)pyrazine-2-carboxylic acid
CID 122057527
N-(2,6-dichlorophenyl)-5-piperidin-1-ylpyrazine-2-carboxamide
CID 109274621
N-(2,3-dimethylphenyl)-5-pyrrolidin-1-ylpyrazine-2-carboxamide
CID 109273787
N-(2,6-dimethylphenyl)-5-(4-phenylpiperazin-1-yl)pyrazine-2-carboxamide
CID 109285561
5-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-(trifluoromethyl)phenyl]pyrazine-2-carboxamide
CID 109284203
N-tert-butyl-5-(4-methylpiperazin-1-yl)pyrazine-2-carboxamide
CID 109278299

Frequently Asked Questions

What is the IUPAC name of 5-[4-(dimethylamino)-1,3-dihydroisoindol-2-yl]-N-methylpyrazine-2-carboxamide?
The IUPAC name of 5-[4-(dimethylamino)-1,3-dihydroisoindol-2-yl]-N-methylpyrazine-2-carboxamide (CID 167903652) is 5-[4-(dimethylamino)-1,3-dihydroisoindol-2-yl]-N-methylpyrazine-2-carboxamide.
What is the SMILES notation for 5-[4-(dimethylamino)-1,3-dihydroisoindol-2-yl]-N-methylpyrazine-2-carboxamide?
The canonical SMILES for 5-[4-(dimethylamino)-1,3-dihydroisoindol-2-yl]-N-methylpyrazine-2-carboxamide is CNC(=O)c1cnc(N2Cc3cccc(N(C)C)c3C2)cn1.
What is the InChIKey of 5-[4-(dimethylamino)-1,3-dihydroisoindol-2-yl]-N-methylpyrazine-2-carboxamide?
The InChIKey is SRORCCALMOQENL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O/c1-17-16(22)13-7-19-15(8-18-13)21-9-11-5-4-6-14(20(2)3)12(11)10-21/h4-8H,9-10H2,1-3H3,(H,17,22).
What are the key properties of 5-[4-(dimethylamino)-1,3-dihydroisoindol-2-yl]-N-methylpyrazine-2-carboxamide?
5-[4-(dimethylamino)-1,3-dihydroisoindol-2-yl]-N-methylpyrazine-2-carboxamide has a molecular weight of 297.36 g/mol, XLogP of 1.42, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(dimethylamino)-1,3-dihydroisoindol-2-yl]-N-methylpyrazine-2-carboxamide is sourced from PubChem (CID 167903652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).