4-(4-amino-2-cyanophenyl)morpholine-3-carboxamide

C12H14N4O2 — CID 83094570

IUPAC4-(4-amino-2-cyanophenyl)morpholine-3-carboxamide
SMILESN#Cc1cc(N)ccc1N1CCOCC1C(N)=O
InChIInChI=1S/C12H14N4O2/c13-6-8-5-9(14)1-2-10(8)16-3-4-18-7-11(16)12(15)17/h1-2,5,11H,3-4,7,14H2,(H2,15,17)
InChIKeyWZKGAYWBAKBEQX-UHFFFAOYSA-N
MW246.27 g/mol
LogP-0.17
Rot. Bonds2

About 4-(4-amino-2-cyanophenyl)morpholine-3-carboxamide

4-(4-amino-2-cyanophenyl)morpholine-3-carboxamide (PubChem CID 83094570) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is 4-(4-amino-2-cyanophenyl)morpholine-3-carboxamide.

Molecular Properties

Compound Name4-(4-amino-2-cyanophenyl)morpholine-3-carboxamide
PubChem CID83094570
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC Name4-(4-amino-2-cyanophenyl)morpholine-3-carboxamide
SMILESN#Cc1cc(N)ccc1N1CCOCC1C(N)=O
InChIInChI=1S/C12H14N4O2/c13-6-8-5-9(14)1-2-10(8)16-3-4-18-7-11(16)12(15)17/h1-2,5,11H,3-4,7,14H2,(H2,15,17)
InChIKeyWZKGAYWBAKBEQX-UHFFFAOYSA-N
XLogP-0.17
TPSA105.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-2-cyanophenyl)morpholine-3-carboxamide?
The IUPAC name of 4-(4-amino-2-cyanophenyl)morpholine-3-carboxamide (CID 83094570) is 4-(4-amino-2-cyanophenyl)morpholine-3-carboxamide.
What is the SMILES notation for 4-(4-amino-2-cyanophenyl)morpholine-3-carboxamide?
The canonical SMILES for 4-(4-amino-2-cyanophenyl)morpholine-3-carboxamide is N#Cc1cc(N)ccc1N1CCOCC1C(N)=O.
What is the InChIKey of 4-(4-amino-2-cyanophenyl)morpholine-3-carboxamide?
The InChIKey is WZKGAYWBAKBEQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2/c13-6-8-5-9(14)1-2-10(8)16-3-4-18-7-11(16)12(15)17/h1-2,5,11H,3-4,7,14H2,(H2,15,17).
What are the key properties of 4-(4-amino-2-cyanophenyl)morpholine-3-carboxamide?
4-(4-amino-2-cyanophenyl)morpholine-3-carboxamide has a molecular weight of 246.27 g/mol, XLogP of -0.17, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-2-cyanophenyl)morpholine-3-carboxamide is sourced from PubChem (CID 83094570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).