CID 58656859

C13H14N3O — CID 58656859

IUPAC—
SMILES[CH2]NC(=O)c1cccc(-n2nc(C)cc2C)c1
InChIInChI=1S/C13H14N3O/c1-9-7-10(2)16(15-9)12-6-4-5-11(8-12)13(17)14-3/h4-8H,3H2,1-2H3,(H,14,17)
InChIKeyOGFPFEFXECPIPD-UHFFFAOYSA-N
MW228.27 g/mol
LogP2.01
Rot. Bonds2

About CID 58656859

CID 58656859 (PubChem CID 58656859) has the molecular formula C13H14N3O and a molecular weight of 228.27 g/mol.

Molecular Properties

Compound NameCID 58656859
PubChem CID58656859
Molecular FormulaC13H14N3O
Molecular Weight228.27 g/mol
Exact Mass228.11
IUPAC Name—
SMILES[CH2]NC(=O)c1cccc(-n2nc(C)cc2C)c1
InChIInChI=1S/C13H14N3O/c1-9-7-10(2)16(15-9)12-6-4-5-11(8-12)13(17)14-3/h4-8H,3H2,1-2H3,(H,14,17)
InChIKeyOGFPFEFXECPIPD-UHFFFAOYSA-N
XLogP2.01
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.27
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of CID 58656859?
The IUPAC name of CID 58656859 (CID 58656859) is not available.
What is the SMILES notation for CID 58656859?
The canonical SMILES for CID 58656859 is [CH2]NC(=O)c1cccc(-n2nc(C)cc2C)c1.
What is the InChIKey of CID 58656859?
The InChIKey is OGFPFEFXECPIPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N3O/c1-9-7-10(2)16(15-9)12-6-4-5-11(8-12)13(17)14-3/h4-8H,3H2,1-2H3,(H,14,17).
What are the key properties of CID 58656859?
CID 58656859 has a molecular weight of 228.27 g/mol, XLogP of 2.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58656859 is sourced from PubChem (CID 58656859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).