CID 134839909

C21H21N3O — CID 134839909

IUPAC—
SMILESCc1cc(C)c(N2[C]N3C(=N2)CO[C@H]2Cc4ccccc4C23)c(C)c1
InChIInChI=1S/C21H21N3O/c1-13-8-14(2)20(15(3)9-13)24-12-23-19(22-24)11-25-18-10-16-6-4-5-7-17(16)21(18)23/h4-9,18,21H,10-11H2,1-3H3/t18-,21?/m0/s1
InChIKeyPEDCLWGVLXDPEI-YMXDCFFPSA-N
MW331.42 g/mol
LogP3.74
Rot. Bonds1

About CID 134839909

CID 134839909 (PubChem CID 134839909) has the molecular formula C21H21N3O and a molecular weight of 331.42 g/mol.

Molecular Properties

Compound NameCID 134839909
PubChem CID134839909
Molecular FormulaC21H21N3O
Molecular Weight331.42 g/mol
Exact Mass331.17
IUPAC Name—
SMILESCc1cc(C)c(N2[C]N3C(=N2)CO[C@H]2Cc4ccccc4C23)c(C)c1
InChIInChI=1S/C21H21N3O/c1-13-8-14(2)20(15(3)9-13)24-12-23-19(22-24)11-25-18-10-16-6-4-5-7-17(16)21(18)23/h4-9,18,21H,10-11H2,1-3H3/t18-,21?/m0/s1
InChIKeyPEDCLWGVLXDPEI-YMXDCFFPSA-N
XLogP3.74
TPSA28.07 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of CID 134839909?
The IUPAC name of CID 134839909 (CID 134839909) is not available.
What is the SMILES notation for CID 134839909?
The canonical SMILES for CID 134839909 is Cc1cc(C)c(N2[C]N3C(=N2)CO[C@H]2Cc4ccccc4C23)c(C)c1.
What is the InChIKey of CID 134839909?
The InChIKey is PEDCLWGVLXDPEI-YMXDCFFPSA-N. The full InChI is InChI=1S/C21H21N3O/c1-13-8-14(2)20(15(3)9-13)24-12-23-19(22-24)11-25-18-10-16-6-4-5-7-17(16)21(18)23/h4-9,18,21H,10-11H2,1-3H3/t18-,21?/m0/s1.
What are the key properties of CID 134839909?
CID 134839909 has a molecular weight of 331.42 g/mol, XLogP of 3.74, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134839909 is sourced from PubChem (CID 134839909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).