CID 58197419

C22H23N3O — CID 58197419

IUPAC—
SMILESCN1C(=O)[C@@]2(N=C1N)c1ccccc1CC21CCc2ccccc2CC1
InChIInChI=1S/C22H23N3O/c1-25-19(26)22(24-20(25)23)18-9-5-4-8-17(18)14-21(22)12-10-15-6-2-3-7-16(15)11-13-21/h2-9H,10-14H2,1H3,(H2,23,24)/t22-/m0/s1
InChIKeyNBARGRGEIIPREU-QFIPXVFZSA-N
MW345.45 g/mol
LogP2.79
Rot. Bonds

About CID 58197419

CID 58197419 (PubChem CID 58197419) has the molecular formula C22H23N3O and a molecular weight of 345.45 g/mol.

Molecular Properties

Compound NameCID 58197419
PubChem CID58197419
Molecular FormulaC22H23N3O
Molecular Weight345.45 g/mol
Exact Mass345.18
IUPAC Name—
SMILESCN1C(=O)[C@@]2(N=C1N)c1ccccc1CC21CCc2ccccc2CC1
InChIInChI=1S/C22H23N3O/c1-25-19(26)22(24-20(25)23)18-9-5-4-8-17(18)14-21(22)12-10-15-6-2-3-7-16(15)11-13-21/h2-9H,10-14H2,1H3,(H2,23,24)/t22-/m0/s1
InChIKeyNBARGRGEIIPREU-QFIPXVFZSA-N
XLogP2.79
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of CID 58197419?
The IUPAC name of CID 58197419 (CID 58197419) is not available.
What is the SMILES notation for CID 58197419?
The canonical SMILES for CID 58197419 is CN1C(=O)[C@@]2(N=C1N)c1ccccc1CC21CCc2ccccc2CC1.
What is the InChIKey of CID 58197419?
The InChIKey is NBARGRGEIIPREU-QFIPXVFZSA-N. The full InChI is InChI=1S/C22H23N3O/c1-25-19(26)22(24-20(25)23)18-9-5-4-8-17(18)14-21(22)12-10-15-6-2-3-7-16(15)11-13-21/h2-9H,10-14H2,1H3,(H2,23,24)/t22-/m0/s1.
What are the key properties of CID 58197419?
CID 58197419 has a molecular weight of 345.45 g/mol, XLogP of 2.79, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58197419 is sourced from PubChem (CID 58197419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).