3-amino-6-[3-chloro-4-(dimethylcarbamoyl)phenyl]-N-phenylpyrazine-2-carboxamide

C20H18ClN5O2 — CID 52937554

IUPAC3-amino-6-[3-chloro-4-(dimethylcarbamoyl)phenyl]-N-phenylpyrazine-2-carboxamide
SMILESCN(C)C(=O)c1ccc(-c2cnc(N)c(C(=O)Nc3ccccc3)n2)cc1Cl
InChIInChI=1S/C20H18ClN5O2/c1-26(2)20(28)14-9-8-12(10-15(14)21)16-11-23-18(22)17(25-16)19(27)24-13-6-4-3-5-7-13/h3-11H,1-2H3,(H2,22,23)(H,24,27)
InChIKeyTWOICITWNIMEKO-UHFFFAOYSA-N
MW395.85 g/mol
LogP3.33
Rot. Bonds4

About 3-amino-6-[3-chloro-4-(dimethylcarbamoyl)phenyl]-N-phenylpyrazine-2-carboxamide

3-amino-6-[3-chloro-4-(dimethylcarbamoyl)phenyl]-N-phenylpyrazine-2-carboxamide (PubChem CID 52937554) has the molecular formula C20H18ClN5O2 and a molecular weight of 395.85 g/mol. Its IUPAC name is 3-amino-6-[3-chloro-4-(dimethylcarbamoyl)phenyl]-N-phenylpyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-[3-chloro-4-(dimethylcarbamoyl)phenyl]-N-phenylpyrazine-2-carboxamide
PubChem CID52937554
Molecular FormulaC20H18ClN5O2
Molecular Weight395.85 g/mol
Exact Mass395.11
IUPAC Name3-amino-6-[3-chloro-4-(dimethylcarbamoyl)phenyl]-N-phenylpyrazine-2-carboxamide
SMILESCN(C)C(=O)c1ccc(-c2cnc(N)c(C(=O)Nc3ccccc3)n2)cc1Cl
InChIInChI=1S/C20H18ClN5O2/c1-26(2)20(28)14-9-8-12(10-15(14)21)16-11-23-18(22)17(25-16)19(27)24-13-6-4-3-5-7-13/h3-11H,1-2H3,(H2,22,23)(H,24,27)
InChIKeyTWOICITWNIMEKO-UHFFFAOYSA-N
XLogP3.33
TPSA101.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.85
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-[3-chloro-4-(dimethylcarbamoyl)phenyl]-N-phenylpyrazine-2-carboxamide?
The IUPAC name of 3-amino-6-[3-chloro-4-(dimethylcarbamoyl)phenyl]-N-phenylpyrazine-2-carboxamide (CID 52937554) is 3-amino-6-[3-chloro-4-(dimethylcarbamoyl)phenyl]-N-phenylpyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-6-[3-chloro-4-(dimethylcarbamoyl)phenyl]-N-phenylpyrazine-2-carboxamide?
The canonical SMILES for 3-amino-6-[3-chloro-4-(dimethylcarbamoyl)phenyl]-N-phenylpyrazine-2-carboxamide is CN(C)C(=O)c1ccc(-c2cnc(N)c(C(=O)Nc3ccccc3)n2)cc1Cl.
What is the InChIKey of 3-amino-6-[3-chloro-4-(dimethylcarbamoyl)phenyl]-N-phenylpyrazine-2-carboxamide?
The InChIKey is TWOICITWNIMEKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN5O2/c1-26(2)20(28)14-9-8-12(10-15(14)21)16-11-23-18(22)17(25-16)19(27)24-13-6-4-3-5-7-13/h3-11H,1-2H3,(H2,22,23)(H,24,27).
What are the key properties of 3-amino-6-[3-chloro-4-(dimethylcarbamoyl)phenyl]-N-phenylpyrazine-2-carboxamide?
3-amino-6-[3-chloro-4-(dimethylcarbamoyl)phenyl]-N-phenylpyrazine-2-carboxamide has a molecular weight of 395.85 g/mol, XLogP of 3.33, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-[3-chloro-4-(dimethylcarbamoyl)phenyl]-N-phenylpyrazine-2-carboxamide is sourced from PubChem (CID 52937554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).