CID 87583326

C20H23AsN4O2 — CID 87583326

IUPAC—
SMILESCNC(=O)c1nc(-c2cccc(C(=O)NCC3CCCCC3)c2)cnc1[As]
InChIInChI=1S/C20H23AsN4O2/c1-22-20(27)17-18(21)23-12-16(25-17)14-8-5-9-15(10-14)19(26)24-11-13-6-3-2-4-7-13/h5,8-10,12-13H,2-4,6-7,11H2,1H3,(H,22,27)(H,24,26)
InChIKeyXZONSSCNFMEWSK-UHFFFAOYSA-N
MW426.35 g/mol
LogP1.61
Rot. Bonds5

About CID 87583326

CID 87583326 (PubChem CID 87583326) has the molecular formula C20H23AsN4O2 and a molecular weight of 426.35 g/mol.

Molecular Properties

Compound NameCID 87583326
PubChem CID87583326
Molecular FormulaC20H23AsN4O2
Molecular Weight426.35 g/mol
Exact Mass426.10
IUPAC Name—
SMILESCNC(=O)c1nc(-c2cccc(C(=O)NCC3CCCCC3)c2)cnc1[As]
InChIInChI=1S/C20H23AsN4O2/c1-22-20(27)17-18(21)23-12-16(25-17)14-8-5-9-15(10-14)19(26)24-11-13-6-3-2-4-7-13/h5,8-10,12-13H,2-4,6-7,11H2,1H3,(H,22,27)(H,24,26)
InChIKeyXZONSSCNFMEWSK-UHFFFAOYSA-N
XLogP1.61
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.35
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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3-amino-N-methyl-6-[3-[(2-methylphenyl)methylcarbamoyl]phenyl]pyrazine-2-carboxamide
CID 68652174
3-amino-6-[3-[(3,5-difluorophenyl)methylcarbamoyl]phenyl]-N-methylpyrazine-2-carboxamide
CID 68651456
N-[[(3R)-1-cyclohexylpyrrolidin-3-yl]methyl]-3-(5-methyl-2-pyridinyl)benzamide
CID 125162133
tert-butyl 4-[[[3-amino-6-[3-(benzylcarbamoyl)phenyl]pyrazine-2-carbonyl]amino]methyl]piperidine-1-carboxylate
CID 68651679
3-amino-6-(3-carbamimidoylphenyl)-N-methylpyrazine-2-carboxamide
CID 68650453
N-(cyclohexylmethyl)-3-[(6-phenylpyridazin-3-yl)amino]benzamide
CID 165128971
4-[3-(cyclohexylmethylcarbamoyl)phenyl]-4-oxobutanoic acid
CID 23642199
3-amino-N-methyl-6-[3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]phenyl]pyrazine-2-carboxamide
CID 68651908
N-(cyclohexylmethyl)-3,4-dimethylbenzamide
CID 55349047
3-amino-N-(cyclobutylmethyl)benzamide
CID 43298160
3-amino-N-[2-[[3-amino-6-[3-(benzylcarbamoyl)phenyl]pyrazine-2-carbonyl]amino]cyclohexyl]-6-[3-(benzylcarbamoyl)phenyl]pyrazine-2-carboxamide
CID 68650751

Frequently Asked Questions

What is the IUPAC name of CID 87583326?
The IUPAC name of CID 87583326 (CID 87583326) is not available.
What is the SMILES notation for CID 87583326?
The canonical SMILES for CID 87583326 is CNC(=O)c1nc(-c2cccc(C(=O)NCC3CCCCC3)c2)cnc1[As].
What is the InChIKey of CID 87583326?
The InChIKey is XZONSSCNFMEWSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23AsN4O2/c1-22-20(27)17-18(21)23-12-16(25-17)14-8-5-9-15(10-14)19(26)24-11-13-6-3-2-4-7-13/h5,8-10,12-13H,2-4,6-7,11H2,1H3,(H,22,27)(H,24,26).
What are the key properties of CID 87583326?
CID 87583326 has a molecular weight of 426.35 g/mol, XLogP of 1.61, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87583326 is sourced from PubChem (CID 87583326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).