3-amino-6-[4-[1-(dimethylamino)propan-2-ylsulfonyl]phenyl]-N-phenylpyrazine-2-carboxamide

C22H25N5O3S — CID 52915004

IUPAC3-amino-6-[4-[1-(dimethylamino)propan-2-ylsulfonyl]phenyl]-N-phenylpyrazine-2-carboxamide
SMILESCC(CN(C)C)S(=O)(=O)c1ccc(-c2cnc(N)c(C(=O)Nc3ccccc3)n2)cc1
InChIInChI=1S/C22H25N5O3S/c1-15(14-27(2)3)31(29,30)18-11-9-16(10-12-18)19-13-24-21(23)20(26-19)22(28)25-17-7-5-4-6-8-17/h4-13,15H,14H2,1-3H3,(H2,23,24)(H,25,28)
InChIKeyGNEFGLFGNKFHAR-UHFFFAOYSA-N
MW439.54 g/mol
LogP2.70
Rot. Bonds7

About 3-amino-6-[4-[1-(dimethylamino)propan-2-ylsulfonyl]phenyl]-N-phenylpyrazine-2-carboxamide

3-amino-6-[4-[1-(dimethylamino)propan-2-ylsulfonyl]phenyl]-N-phenylpyrazine-2-carboxamide (PubChem CID 52915004) has the molecular formula C22H25N5O3S and a molecular weight of 439.54 g/mol. Its IUPAC name is 3-amino-6-[4-[1-(dimethylamino)propan-2-ylsulfonyl]phenyl]-N-phenylpyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-[4-[1-(dimethylamino)propan-2-ylsulfonyl]phenyl]-N-phenylpyrazine-2-carboxamide
PubChem CID52915004
Molecular FormulaC22H25N5O3S
Molecular Weight439.54 g/mol
Exact Mass439.17
IUPAC Name3-amino-6-[4-[1-(dimethylamino)propan-2-ylsulfonyl]phenyl]-N-phenylpyrazine-2-carboxamide
SMILESCC(CN(C)C)S(=O)(=O)c1ccc(-c2cnc(N)c(C(=O)Nc3ccccc3)n2)cc1
InChIInChI=1S/C22H25N5O3S/c1-15(14-27(2)3)31(29,30)18-11-9-16(10-12-18)19-13-24-21(23)20(26-19)22(28)25-17-7-5-4-6-8-17/h4-13,15H,14H2,1-3H3,(H2,23,24)(H,25,28)
InChIKeyGNEFGLFGNKFHAR-UHFFFAOYSA-N
XLogP2.70
TPSA118.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.54
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-[4-[1-(dimethylamino)propan-2-ylsulfonyl]phenyl]-N-phenylpyrazine-2-carboxamide?
The IUPAC name of 3-amino-6-[4-[1-(dimethylamino)propan-2-ylsulfonyl]phenyl]-N-phenylpyrazine-2-carboxamide (CID 52915004) is 3-amino-6-[4-[1-(dimethylamino)propan-2-ylsulfonyl]phenyl]-N-phenylpyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-6-[4-[1-(dimethylamino)propan-2-ylsulfonyl]phenyl]-N-phenylpyrazine-2-carboxamide?
The canonical SMILES for 3-amino-6-[4-[1-(dimethylamino)propan-2-ylsulfonyl]phenyl]-N-phenylpyrazine-2-carboxamide is CC(CN(C)C)S(=O)(=O)c1ccc(-c2cnc(N)c(C(=O)Nc3ccccc3)n2)cc1.
What is the InChIKey of 3-amino-6-[4-[1-(dimethylamino)propan-2-ylsulfonyl]phenyl]-N-phenylpyrazine-2-carboxamide?
The InChIKey is GNEFGLFGNKFHAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O3S/c1-15(14-27(2)3)31(29,30)18-11-9-16(10-12-18)19-13-24-21(23)20(26-19)22(28)25-17-7-5-4-6-8-17/h4-13,15H,14H2,1-3H3,(H2,23,24)(H,25,28).
What are the key properties of 3-amino-6-[4-[1-(dimethylamino)propan-2-ylsulfonyl]phenyl]-N-phenylpyrazine-2-carboxamide?
3-amino-6-[4-[1-(dimethylamino)propan-2-ylsulfonyl]phenyl]-N-phenylpyrazine-2-carboxamide has a molecular weight of 439.54 g/mol, XLogP of 2.70, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-[4-[1-(dimethylamino)propan-2-ylsulfonyl]phenyl]-N-phenylpyrazine-2-carboxamide is sourced from PubChem (CID 52915004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).