CID 159345610

C26H34N4Na — CID 159345610

IUPAC—
SMILESCc1cc(NCC(C)C)c(N)c(N(CCc2ccccc2)CCc2ccccc2)n1.[Na]
InChIInChI=1S/C26H34N4.Na/c1-20(2)19-28-24-18-21(3)29-26(25(24)27)30(16-14-22-10-6-4-7-11-22)17-15-23-12-8-5-9-13-23;/h4-13,18,20H,14-17,19,27H2,1-3H3,(H,28,29);
InChIKeyMUBATNFDGAMFTQ-UHFFFAOYSA-N
MW425.58 g/mol
LogP4.95
Rot. Bonds10

About CID 159345610

CID 159345610 (PubChem CID 159345610) has the molecular formula C26H34N4Na and a molecular weight of 425.58 g/mol.

Molecular Properties

Compound NameCID 159345610
PubChem CID159345610
Molecular FormulaC26H34N4Na
Molecular Weight425.58 g/mol
Exact Mass425.27
IUPAC Name—
SMILESCc1cc(NCC(C)C)c(N)c(N(CCc2ccccc2)CCc2ccccc2)n1.[Na]
InChIInChI=1S/C26H34N4.Na/c1-20(2)19-28-24-18-21(3)29-26(25(24)27)30(16-14-22-10-6-4-7-11-22)17-15-23-12-8-5-9-13-23;/h4-13,18,20H,14-17,19,27H2,1-3H3,(H,28,29);
InChIKeyMUBATNFDGAMFTQ-UHFFFAOYSA-N
XLogP4.95
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.58
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of CID 159345610?
The IUPAC name of CID 159345610 (CID 159345610) is not available.
What is the SMILES notation for CID 159345610?
The canonical SMILES for CID 159345610 is Cc1cc(NCC(C)C)c(N)c(N(CCc2ccccc2)CCc2ccccc2)n1.[Na].
What is the InChIKey of CID 159345610?
The InChIKey is MUBATNFDGAMFTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N4.Na/c1-20(2)19-28-24-18-21(3)29-26(25(24)27)30(16-14-22-10-6-4-7-11-22)17-15-23-12-8-5-9-13-23;/h4-13,18,20H,14-17,19,27H2,1-3H3,(H,28,29);.
What are the key properties of CID 159345610?
CID 159345610 has a molecular weight of 425.58 g/mol, XLogP of 4.95, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 159345610 is sourced from PubChem (CID 159345610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).