4-[5-amino-6-[4-(methylcarbamoyl)phenyl]pyrazin-2-yl]benzamide

C19H17N5O2 — CID 71711987

IUPAC4-[5-amino-6-[4-(methylcarbamoyl)phenyl]pyrazin-2-yl]benzamide
SMILESCNC(=O)c1ccc(-c2nc(-c3ccc(C(N)=O)cc3)cnc2N)cc1
InChIInChI=1S/C19H17N5O2/c1-22-19(26)14-8-4-12(5-9-14)16-17(20)23-10-15(24-16)11-2-6-13(7-3-11)18(21)25/h2-10H,1H3,(H2,20,23)(H2,21,25)(H,22,26)
InChIKeyKFGMWGIKMVHIJZ-UHFFFAOYSA-N
MW347.38 g/mol
LogP1.85
Rot. Bonds4

About 4-[5-amino-6-[4-(methylcarbamoyl)phenyl]pyrazin-2-yl]benzamide

4-[5-amino-6-[4-(methylcarbamoyl)phenyl]pyrazin-2-yl]benzamide (PubChem CID 71711987) has the molecular formula C19H17N5O2 and a molecular weight of 347.38 g/mol. Its IUPAC name is 4-[5-amino-6-[4-(methylcarbamoyl)phenyl]pyrazin-2-yl]benzamide.

Molecular Properties

Compound Name4-[5-amino-6-[4-(methylcarbamoyl)phenyl]pyrazin-2-yl]benzamide
PubChem CID71711987
Molecular FormulaC19H17N5O2
Molecular Weight347.38 g/mol
Exact Mass347.14
IUPAC Name4-[5-amino-6-[4-(methylcarbamoyl)phenyl]pyrazin-2-yl]benzamide
SMILESCNC(=O)c1ccc(-c2nc(-c3ccc(C(N)=O)cc3)cnc2N)cc1
InChIInChI=1S/C19H17N5O2/c1-22-19(26)14-8-4-12(5-9-14)16-17(20)23-10-15(24-16)11-2-6-13(7-3-11)18(21)25/h2-10H,1H3,(H2,20,23)(H2,21,25)(H,22,26)
InChIKeyKFGMWGIKMVHIJZ-UHFFFAOYSA-N
XLogP1.85
TPSA123.99 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 ≤ 51.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[5-amino-6-[4-(methylcarbamoyl)phenyl]pyrazin-2-yl]benzamide?
The IUPAC name of 4-[5-amino-6-[4-(methylcarbamoyl)phenyl]pyrazin-2-yl]benzamide (CID 71711987) is 4-[5-amino-6-[4-(methylcarbamoyl)phenyl]pyrazin-2-yl]benzamide.
What is the SMILES notation for 4-[5-amino-6-[4-(methylcarbamoyl)phenyl]pyrazin-2-yl]benzamide?
The canonical SMILES for 4-[5-amino-6-[4-(methylcarbamoyl)phenyl]pyrazin-2-yl]benzamide is CNC(=O)c1ccc(-c2nc(-c3ccc(C(N)=O)cc3)cnc2N)cc1.
What is the InChIKey of 4-[5-amino-6-[4-(methylcarbamoyl)phenyl]pyrazin-2-yl]benzamide?
The InChIKey is KFGMWGIKMVHIJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O2/c1-22-19(26)14-8-4-12(5-9-14)16-17(20)23-10-15(24-16)11-2-6-13(7-3-11)18(21)25/h2-10H,1H3,(H2,20,23)(H2,21,25)(H,22,26).
What are the key properties of 4-[5-amino-6-[4-(methylcarbamoyl)phenyl]pyrazin-2-yl]benzamide?
4-[5-amino-6-[4-(methylcarbamoyl)phenyl]pyrazin-2-yl]benzamide has a molecular weight of 347.38 g/mol, XLogP of 1.85, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-amino-6-[4-(methylcarbamoyl)phenyl]pyrazin-2-yl]benzamide is sourced from PubChem (CID 71711987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).