4-amino-N-(5-cyano-2-methylphenyl)-3-methyloxolane-3-carboxamide

C14H17N3O2 — CID 66264173

IUPAC4-amino-N-(5-cyano-2-methylphenyl)-3-methyloxolane-3-carboxamide
SMILESCc1ccc(C#N)cc1NC(=O)C1(C)COCC1N
InChIInChI=1S/C14H17N3O2/c1-9-3-4-10(6-15)5-11(9)17-13(18)14(2)8-19-7-12(14)16/h3-5,12H,7-8,16H2,1-2H3,(H,17,18)
InChIKeyZUUWPPUEOLDLSP-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.17
Rot. Bonds2

About 4-amino-N-(5-cyano-2-methylphenyl)-3-methyloxolane-3-carboxamide

4-amino-N-(5-cyano-2-methylphenyl)-3-methyloxolane-3-carboxamide (PubChem CID 66264173) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 4-amino-N-(5-cyano-2-methylphenyl)-3-methyloxolane-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-(5-cyano-2-methylphenyl)-3-methyloxolane-3-carboxamide
PubChem CID66264173
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name4-amino-N-(5-cyano-2-methylphenyl)-3-methyloxolane-3-carboxamide
SMILESCc1ccc(C#N)cc1NC(=O)C1(C)COCC1N
InChIInChI=1S/C14H17N3O2/c1-9-3-4-10(6-15)5-11(9)17-13(18)14(2)8-19-7-12(14)16/h3-5,12H,7-8,16H2,1-2H3,(H,17,18)
InChIKeyZUUWPPUEOLDLSP-UHFFFAOYSA-N
XLogP1.17
TPSA88.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(5-cyano-2-methylphenyl)-3-methyloxolane-3-carboxamide?
The IUPAC name of 4-amino-N-(5-cyano-2-methylphenyl)-3-methyloxolane-3-carboxamide (CID 66264173) is 4-amino-N-(5-cyano-2-methylphenyl)-3-methyloxolane-3-carboxamide.
What is the SMILES notation for 4-amino-N-(5-cyano-2-methylphenyl)-3-methyloxolane-3-carboxamide?
The canonical SMILES for 4-amino-N-(5-cyano-2-methylphenyl)-3-methyloxolane-3-carboxamide is Cc1ccc(C#N)cc1NC(=O)C1(C)COCC1N.
What is the InChIKey of 4-amino-N-(5-cyano-2-methylphenyl)-3-methyloxolane-3-carboxamide?
The InChIKey is ZUUWPPUEOLDLSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-9-3-4-10(6-15)5-11(9)17-13(18)14(2)8-19-7-12(14)16/h3-5,12H,7-8,16H2,1-2H3,(H,17,18).
What are the key properties of 4-amino-N-(5-cyano-2-methylphenyl)-3-methyloxolane-3-carboxamide?
4-amino-N-(5-cyano-2-methylphenyl)-3-methyloxolane-3-carboxamide has a molecular weight of 259.31 g/mol, XLogP of 1.17, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(5-cyano-2-methylphenyl)-3-methyloxolane-3-carboxamide is sourced from PubChem (CID 66264173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).