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

C13H15N3O2 — CID 78965406

IUPACN-(2-amino-4-cyanophenyl)oxane-4-carboxamide
SMILESN#Cc1ccc(NC(=O)C2CCOCC2)c(N)c1
InChIInChI=1S/C13H15N3O2/c14-8-9-1-2-12(11(15)7-9)16-13(17)10-3-5-18-6-4-10/h1-2,7,10H,3-6,15H2,(H,16,17)
InChIKeyLBCPCXTZNHFZTJ-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.51
Rot. Bonds2

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

N-(2-amino-4-cyanophenyl)oxane-4-carboxamide (PubChem CID 78965406) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is N-(2-amino-4-cyanophenyl)oxane-4-carboxamide.

Molecular Properties

Compound NameN-(2-amino-4-cyanophenyl)oxane-4-carboxamide
PubChem CID78965406
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC NameN-(2-amino-4-cyanophenyl)oxane-4-carboxamide
SMILESN#Cc1ccc(NC(=O)C2CCOCC2)c(N)c1
InChIInChI=1S/C13H15N3O2/c14-8-9-1-2-12(11(15)7-9)16-13(17)10-3-5-18-6-4-10/h1-2,7,10H,3-6,15H2,(H,16,17)
InChIKeyLBCPCXTZNHFZTJ-UHFFFAOYSA-N
XLogP1.51
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 ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-4-cyanophenyl)-2,2-dimethylcyclopentane-1-carboxamide
CID 107174932
N-(2-amino-4-cyanophenyl)-2,2-dimethylpropanamide
CID 78965394
N-(4-amino-2-methoxyphenyl)oxane-4-carboxamide
CID 53410709
N-[4-amino-2-(trifluoromethyl)phenyl]oxane-4-carboxamide
CID 62905996
3-amino-4-(cyclopropylamino)benzonitrile
CID 43517994
N-(2-amino-4-cyanophenyl)-4-iodobenzamide
CID 78965375
N-[5-(3-cyanoanilino)-2-pyridinyl]oxane-4-carboxamide
CID 113037203
N-(2-amino-4-cyanophenyl)-3,5-dibromobenzamide
CID 107971053
N-(2-amino-4-cyanophenyl)-4-methylbenzamide
CID 78965634
N-(2-amino-4-cyanophenyl)-2-methylsulfanylacetamide
CID 78965600
propan-2-yl N-(2-amino-4-cyanophenyl)carbamate
CID 78965446
N-(2-amino-4-cyanophenyl)-5-methylfuran-2-carboxamide
CID 78965516

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-cyanophenyl)oxane-4-carboxamide?
The IUPAC name of N-(2-amino-4-cyanophenyl)oxane-4-carboxamide (CID 78965406) is N-(2-amino-4-cyanophenyl)oxane-4-carboxamide.
What is the SMILES notation for N-(2-amino-4-cyanophenyl)oxane-4-carboxamide?
The canonical SMILES for N-(2-amino-4-cyanophenyl)oxane-4-carboxamide is N#Cc1ccc(NC(=O)C2CCOCC2)c(N)c1.
What is the InChIKey of N-(2-amino-4-cyanophenyl)oxane-4-carboxamide?
The InChIKey is LBCPCXTZNHFZTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c14-8-9-1-2-12(11(15)7-9)16-13(17)10-3-5-18-6-4-10/h1-2,7,10H,3-6,15H2,(H,16,17).
What are the key properties of N-(2-amino-4-cyanophenyl)oxane-4-carboxamide?
N-(2-amino-4-cyanophenyl)oxane-4-carboxamide has a molecular weight of 245.28 g/mol, XLogP of 1.51, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-cyanophenyl)oxane-4-carboxamide is sourced from PubChem (CID 78965406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).