CID 10617961

C16H22N3OSe — CID 10617961

IUPAC—
SMILESCCN(CC)CCNC(=O)c1c([Se])n(C)c2ccccc12
InChIInChI=1S/C16H22N3OSe/c1-4-19(5-2)11-10-17-15(20)14-12-8-6-7-9-13(12)18(3)16(14)21/h6-9H,4-5,10-11H2,1-3H3,(H,17,20)
InChIKeyPIPUESMLQLTMOE-UHFFFAOYSA-N
MW351.33 g/mol
LogP1.04
Rot. Bonds6

About CID 10617961

CID 10617961 (PubChem CID 10617961) has the molecular formula C16H22N3OSe and a molecular weight of 351.33 g/mol.

Molecular Properties

Compound NameCID 10617961
PubChem CID10617961
Molecular FormulaC16H22N3OSe
Molecular Weight351.33 g/mol
Exact Mass352.09
IUPAC Name—
SMILESCCN(CC)CCNC(=O)c1c([Se])n(C)c2ccccc12
InChIInChI=1S/C16H22N3OSe/c1-4-19(5-2)11-10-17-15(20)14-12-8-6-7-9-13(12)18(3)16(14)21/h6-9H,4-5,10-11H2,1-3H3,(H,17,20)
InChIKeyPIPUESMLQLTMOE-UHFFFAOYSA-N
XLogP1.04
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.33
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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N-[2-(diethylamino)ethyl]-4-hydroxy-2-oxo-1-pentylquinoline-3-carboxamide
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N-[2-[butyl(ethyl)amino]ethyl]-2,9-dimethyl-1-oxopyrido[3,4-b]indole-4-carboxamide
CID 15988773
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CID 29368993
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CID 16806720
N-[2-(diethylamino)ethyl]-1-methyl-4-oxo-5H-pyrrolo[3,2-c]quinoline-2-carboxamide
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N-[2-(diethylamino)ethyl]-5-indol-1-ylthiophene-2-carboxamide
CID 20940664
1-benzyl-N-[3-(diethylamino)propyl]-4-hydroxy-2-oxoquinoline-3-carboxamide
CID 54685643
1-butyl-N-[4-(diethylamino)butyl]-3-methylindole-2-carboxamide
CID 110497326

Frequently Asked Questions

What is the IUPAC name of CID 10617961?
The IUPAC name of CID 10617961 (CID 10617961) is not available.
What is the SMILES notation for CID 10617961?
The canonical SMILES for CID 10617961 is CCN(CC)CCNC(=O)c1c([Se])n(C)c2ccccc12.
What is the InChIKey of CID 10617961?
The InChIKey is PIPUESMLQLTMOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N3OSe/c1-4-19(5-2)11-10-17-15(20)14-12-8-6-7-9-13(12)18(3)16(14)21/h6-9H,4-5,10-11H2,1-3H3,(H,17,20).
What are the key properties of CID 10617961?
CID 10617961 has a molecular weight of 351.33 g/mol, XLogP of 1.04, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 10617961 is sourced from PubChem (CID 10617961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).