CID 58197115

C21H23N3O — CID 58197115

IUPAC—
SMILESCN1OC2(N=C1N)c1ccccc1CC21CCc2ccccc2CC1
InChIInChI=1S/C21H23N3O/c1-24-19(22)23-21(25-24)18-9-5-4-8-17(18)14-20(21)12-10-15-6-2-3-7-16(15)11-13-20/h2-9H,10-14H2,1H3,(H2,22,23)
InChIKeyNCWJNDINNMXSAF-UHFFFAOYSA-N
MW333.44 g/mol
LogP3.15
Rot. Bonds

About CID 58197115

CID 58197115 (PubChem CID 58197115) has the molecular formula C21H23N3O and a molecular weight of 333.44 g/mol.

Molecular Properties

Compound NameCID 58197115
PubChem CID58197115
Molecular FormulaC21H23N3O
Molecular Weight333.44 g/mol
Exact Mass333.18
IUPAC Name—
SMILESCN1OC2(N=C1N)c1ccccc1CC21CCc2ccccc2CC1
InChIInChI=1S/C21H23N3O/c1-24-19(22)23-21(25-24)18-9-5-4-8-17(18)14-20(21)12-10-15-6-2-3-7-16(15)11-13-20/h2-9H,10-14H2,1H3,(H2,22,23)
InChIKeyNCWJNDINNMXSAF-UHFFFAOYSA-N
XLogP3.15
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of CID 58197115?
The IUPAC name of CID 58197115 (CID 58197115) is not available.
What is the SMILES notation for CID 58197115?
The canonical SMILES for CID 58197115 is CN1OC2(N=C1N)c1ccccc1CC21CCc2ccccc2CC1.
What is the InChIKey of CID 58197115?
The InChIKey is NCWJNDINNMXSAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O/c1-24-19(22)23-21(25-24)18-9-5-4-8-17(18)14-20(21)12-10-15-6-2-3-7-16(15)11-13-20/h2-9H,10-14H2,1H3,(H2,22,23).
What are the key properties of CID 58197115?
CID 58197115 has a molecular weight of 333.44 g/mol, XLogP of 3.15, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58197115 is sourced from PubChem (CID 58197115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).