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

C19H17N5O2 — CID 52937456

IUPAC3-amino-6-[4-(methylcarbamoyl)phenyl]-N-phenylpyrazine-2-carboxamide
SMILESCNC(=O)c1ccc(-c2cnc(N)c(C(=O)Nc3ccccc3)n2)cc1
InChIInChI=1S/C19H17N5O2/c1-21-18(25)13-9-7-12(8-10-13)15-11-22-17(20)16(24-15)19(26)23-14-5-3-2-4-6-14/h2-11H,1H3,(H2,20,22)(H,21,25)(H,23,26)
InChIKeyWGSOFDKQSHJPQL-UHFFFAOYSA-N
MW347.38 g/mol
LogP2.34
Rot. Bonds4

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

3-amino-6-[4-(methylcarbamoyl)phenyl]-N-phenylpyrazine-2-carboxamide (PubChem CID 52937456) has the molecular formula C19H17N5O2 and a molecular weight of 347.38 g/mol. Its IUPAC name is 3-amino-6-[4-(methylcarbamoyl)phenyl]-N-phenylpyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-[4-(methylcarbamoyl)phenyl]-N-phenylpyrazine-2-carboxamide
PubChem CID52937456
Molecular FormulaC19H17N5O2
Molecular Weight347.38 g/mol
Exact Mass347.14
IUPAC Name3-amino-6-[4-(methylcarbamoyl)phenyl]-N-phenylpyrazine-2-carboxamide
SMILESCNC(=O)c1ccc(-c2cnc(N)c(C(=O)Nc3ccccc3)n2)cc1
InChIInChI=1S/C19H17N5O2/c1-21-18(25)13-9-7-12(8-10-13)15-11-22-17(20)16(24-15)19(26)23-14-5-3-2-4-6-14/h2-11H,1H3,(H2,20,22)(H,21,25)(H,23,26)
InChIKeyWGSOFDKQSHJPQL-UHFFFAOYSA-N
XLogP2.34
TPSA110.00 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 52.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

6-(4-acetylphenyl)-3-amino-N-phenylpyrazine-2-carboxamide
CID 59472127
3-amino-6-[4-(hydroxymethyl)phenyl]-N-phenylpyrazine-2-carboxamide
CID 59471893
3-amino-N-phenyl-6-pyrimidin-5-ylpyrazine-2-carboxamide
CID 59471810
3-amino-6-[4-(oxan-4-ylcarbamoyl)phenyl]-N-phenylpyrazine-2-carboxamide
CID 59471720
3-amino-6-[4-(dipropylamino)phenyl]-N-phenylpyrazine-2-carboxamide
CID 163610371
3-amino-N-phenyl-6-[4-(2-piperidin-1-ylethylcarbamoyl)phenyl]pyrazine-2-carboxamide;molecular hydrogen
CID 160987828
3-amino-6-(3-methoxyphenyl)-N-phenylpyrazine-2-carboxamide
CID 52937360
3-amino-6-[4-(1,4-diazepane-1-carbonyl)phenyl]-N-phenylpyrazine-2-carboxamide;molecular hydrogen
CID 159487418
3-amino-6-(2-methoxyphenyl)-N-phenylpyrazine-2-carboxamide
CID 52937257
3-amino-6-(2-methylsulfinylphenyl)-N-phenylpyrazine-2-carboxamide
CID 52937254
[4-[(3-amino-6-phenylpyrazine-2-carbonyl)amino]phenyl]sulfonyloxy-methylphosphinic acid
CID 175401275
3-amino-6-[3-(4-methylpiperazine-1-carbonyl)phenyl]-N-phenylpyrazine-2-carboxamide
CID 59471661

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-[4-(methylcarbamoyl)phenyl]-N-phenylpyrazine-2-carboxamide?
The IUPAC name of 3-amino-6-[4-(methylcarbamoyl)phenyl]-N-phenylpyrazine-2-carboxamide (CID 52937456) is 3-amino-6-[4-(methylcarbamoyl)phenyl]-N-phenylpyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-6-[4-(methylcarbamoyl)phenyl]-N-phenylpyrazine-2-carboxamide?
The canonical SMILES for 3-amino-6-[4-(methylcarbamoyl)phenyl]-N-phenylpyrazine-2-carboxamide is CNC(=O)c1ccc(-c2cnc(N)c(C(=O)Nc3ccccc3)n2)cc1.
What is the InChIKey of 3-amino-6-[4-(methylcarbamoyl)phenyl]-N-phenylpyrazine-2-carboxamide?
The InChIKey is WGSOFDKQSHJPQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O2/c1-21-18(25)13-9-7-12(8-10-13)15-11-22-17(20)16(24-15)19(26)23-14-5-3-2-4-6-14/h2-11H,1H3,(H2,20,22)(H,21,25)(H,23,26).
What are the key properties of 3-amino-6-[4-(methylcarbamoyl)phenyl]-N-phenylpyrazine-2-carboxamide?
3-amino-6-[4-(methylcarbamoyl)phenyl]-N-phenylpyrazine-2-carboxamide has a molecular weight of 347.38 g/mol, XLogP of 2.34, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-[4-(methylcarbamoyl)phenyl]-N-phenylpyrazine-2-carboxamide is sourced from PubChem (CID 52937456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).