4-amino-N-(2-cyanophenyl)oxane-4-carboxamide

C13H15N3O2 — CID 113280537

IUPAC4-amino-N-(2-cyanophenyl)oxane-4-carboxamide
SMILESN#Cc1ccccc1NC(=O)C1(N)CCOCC1
InChIInChI=1S/C13H15N3O2/c14-9-10-3-1-2-4-11(10)16-12(17)13(15)5-7-18-8-6-13/h1-4H,5-8,15H2,(H,16,17)
InChIKeyOATRIQIOBCZKDP-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.00
Rot. Bonds2

About 4-amino-N-(2-cyanophenyl)oxane-4-carboxamide

4-amino-N-(2-cyanophenyl)oxane-4-carboxamide (PubChem CID 113280537) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 4-amino-N-(2-cyanophenyl)oxane-4-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2-cyanophenyl)oxane-4-carboxamide
PubChem CID113280537
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name4-amino-N-(2-cyanophenyl)oxane-4-carboxamide
SMILESN#Cc1ccccc1NC(=O)C1(N)CCOCC1
InChIInChI=1S/C13H15N3O2/c14-9-10-3-1-2-4-11(10)16-12(17)13(15)5-7-18-8-6-13/h1-4H,5-8,15H2,(H,16,17)
InChIKeyOATRIQIOBCZKDP-UHFFFAOYSA-N
XLogP1.00
TPSA88.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-(2-sulfamoylphenyl)oxane-4-carboxamide
CID 115294474
3-amino-N-(2-cyano-4-fluorophenyl)oxolane-3-carboxamide
CID 82016621
4-amino-N-(2-chloro-4-cyanophenyl)oxane-4-carboxamide
CID 107808130
4-amino-N-(3-cyano-4-fluorophenyl)oxane-4-carboxamide
CID 115294803
4-amino-N-(2,3-dichlorophenyl)oxane-4-carboxamide
CID 115293616
(2-cyanophenyl)urea
CID 13155570
1-N'-(2-cyanophenyl)-1-N-phenylcyclopropane-1,1-dicarboxamide
CID 108980627
4-amino-N-(2-chloro-3-pyridinyl)oxane-4-carboxamide
CID 113280621
3-[(4-aminooxane-4-carbonyl)amino]-2-methylbenzoic acid
CID 115293785
1-amino-N-(2-morpholin-4-ylphenyl)cyclopropane-1-carboxamide
CID 65466155
3-amino-N-(2-sulfamoylphenyl)oxolane-3-carboxamide
CID 64893383
N'-(2-cyanophenyl)-N-[[(3R)-3-hydroxyoxolan-3-yl]methyl]oxamide
CID 129355855

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-cyanophenyl)oxane-4-carboxamide?
The IUPAC name of 4-amino-N-(2-cyanophenyl)oxane-4-carboxamide (CID 113280537) is 4-amino-N-(2-cyanophenyl)oxane-4-carboxamide.
What is the SMILES notation for 4-amino-N-(2-cyanophenyl)oxane-4-carboxamide?
The canonical SMILES for 4-amino-N-(2-cyanophenyl)oxane-4-carboxamide is N#Cc1ccccc1NC(=O)C1(N)CCOCC1.
What is the InChIKey of 4-amino-N-(2-cyanophenyl)oxane-4-carboxamide?
The InChIKey is OATRIQIOBCZKDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c14-9-10-3-1-2-4-11(10)16-12(17)13(15)5-7-18-8-6-13/h1-4H,5-8,15H2,(H,16,17).
What are the key properties of 4-amino-N-(2-cyanophenyl)oxane-4-carboxamide?
4-amino-N-(2-cyanophenyl)oxane-4-carboxamide has a molecular weight of 245.28 g/mol, XLogP of 1.00, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-cyanophenyl)oxane-4-carboxamide is sourced from PubChem (CID 113280537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).