2-cyano-4-methoxy-N-methyl-5-(methylamino)benzamide

C11H13N3O2 — CID 171530719

IUPAC2-cyano-4-methoxy-N-methyl-5-(methylamino)benzamide
SMILESCNC(=O)c1cc(NC)c(OC)cc1C#N
InChIInChI=1S/C11H13N3O2/c1-13-9-5-8(11(15)14-2)7(6-12)4-10(9)16-3/h4-5,13H,1-3H3,(H,14,15)
InChIKeyZUWBRBATWNTELP-UHFFFAOYSA-N
MW219.24 g/mol
LogP0.97
Rot. Bonds3

About 2-cyano-4-methoxy-N-methyl-5-(methylamino)benzamide

2-cyano-4-methoxy-N-methyl-5-(methylamino)benzamide (PubChem CID 171530719) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is 2-cyano-4-methoxy-N-methyl-5-(methylamino)benzamide.

Molecular Properties

Compound Name2-cyano-4-methoxy-N-methyl-5-(methylamino)benzamide
PubChem CID171530719
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Name2-cyano-4-methoxy-N-methyl-5-(methylamino)benzamide
SMILESCNC(=O)c1cc(NC)c(OC)cc1C#N
InChIInChI=1S/C11H13N3O2/c1-13-9-5-8(11(15)14-2)7(6-12)4-10(9)16-3/h4-5,13H,1-3H3,(H,14,15)
InChIKeyZUWBRBATWNTELP-UHFFFAOYSA-N
XLogP0.97
TPSA74.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyano-4-methoxy-N-methyl-5-(methylamino)benzamide?
The IUPAC name of 2-cyano-4-methoxy-N-methyl-5-(methylamino)benzamide (CID 171530719) is 2-cyano-4-methoxy-N-methyl-5-(methylamino)benzamide.
What is the SMILES notation for 2-cyano-4-methoxy-N-methyl-5-(methylamino)benzamide?
The canonical SMILES for 2-cyano-4-methoxy-N-methyl-5-(methylamino)benzamide is CNC(=O)c1cc(NC)c(OC)cc1C#N.
What is the InChIKey of 2-cyano-4-methoxy-N-methyl-5-(methylamino)benzamide?
The InChIKey is ZUWBRBATWNTELP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c1-13-9-5-8(11(15)14-2)7(6-12)4-10(9)16-3/h4-5,13H,1-3H3,(H,14,15).
What are the key properties of 2-cyano-4-methoxy-N-methyl-5-(methylamino)benzamide?
2-cyano-4-methoxy-N-methyl-5-(methylamino)benzamide has a molecular weight of 219.24 g/mol, XLogP of 0.97, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-4-methoxy-N-methyl-5-(methylamino)benzamide is sourced from PubChem (CID 171530719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).