CID 145258364

C15H27N3O4Si- — CID 145258364

IUPAC—
SMILESCCO[Si-](CCCNC(=O)Nc1ccccn1)(OCC)OCC
InChIInChI=1S/C15H27N3O4Si/c1-4-20-23(21-5-2,22-6-3)13-9-12-17-15(19)18-14-10-7-8-11-16-14/h7-8,10-11H,4-6,9,12-13H2,1-3H3,(H2,16,17,18,19)/q-1
InChIKeySJHQVNWSBMTASO-UHFFFAOYSA-N
MW341.48 g/mol
LogP2.64
Rot. Bonds11

About CID 145258364

CID 145258364 (PubChem CID 145258364) has the molecular formula C15H27N3O4Si- and a molecular weight of 341.48 g/mol.

Molecular Properties

Compound NameCID 145258364
PubChem CID145258364
Molecular FormulaC15H27N3O4Si-
Molecular Weight341.48 g/mol
Exact Mass341.18
IUPAC Name—
SMILESCCO[Si-](CCCNC(=O)Nc1ccccn1)(OCC)OCC
InChIInChI=1S/C15H27N3O4Si/c1-4-20-23(21-5-2,22-6-3)13-9-12-17-15(19)18-14-10-7-8-11-16-14/h7-8,10-11H,4-6,9,12-13H2,1-3H3,(H2,16,17,18,19)/q-1
InChIKeySJHQVNWSBMTASO-UHFFFAOYSA-N
XLogP2.64
TPSA81.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.48
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

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1-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-3-pyridin-2-ylurea
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1-phenyl-3-[4-(pyridin-2-ylamino)butyl]urea
CID 51108284
1-[(3R)-3-[(S)-methylsulfinyl]butyl]-3-pyridin-2-ylurea
CID 97351423
1-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-pyridin-2-ylurea
CID 51084139
1-[3-(4-bromo-2-chlorophenoxy)propyl]-3-pyridin-2-ylurea
CID 108882467
3,4-diethoxy-N-pyridin-2-ylbenzamide
CID 4520194
1-[2-(3-methoxyphenyl)ethyl]-3-pyridin-2-ylurea
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1-[(3,4-dimethylphenoxy)methyl]-3-pyridin-2-ylurea
CID 108879154

Frequently Asked Questions

What is the IUPAC name of CID 145258364?
The IUPAC name of CID 145258364 (CID 145258364) is not available.
What is the SMILES notation for CID 145258364?
The canonical SMILES for CID 145258364 is CCO[Si-](CCCNC(=O)Nc1ccccn1)(OCC)OCC.
What is the InChIKey of CID 145258364?
The InChIKey is SJHQVNWSBMTASO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O4Si/c1-4-20-23(21-5-2,22-6-3)13-9-12-17-15(19)18-14-10-7-8-11-16-14/h7-8,10-11H,4-6,9,12-13H2,1-3H3,(H2,16,17,18,19)/q-1.
What are the key properties of CID 145258364?
CID 145258364 has a molecular weight of 341.48 g/mol, XLogP of 2.64, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 145258364 is sourced from PubChem (CID 145258364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).