methyl N,N'-bis(pyridine-3-carbonyl)carbamimidoselenoate

C14H12N4O2Se — CID 52913094

IUPACmethyl N,N'-bis(pyridine-3-carbonyl)carbamimidoselenoate
SMILESC[Se]/C(=N\C(=O)c1cccnc1)NC(=O)c1cccnc1
InChIInChI=1S/C14H12N4O2Se/c1-21-14(17-12(19)10-4-2-6-15-8-10)18-13(20)11-5-3-7-16-9-11/h2-9H,1H3,(H,17,18,19,20)
InChIKeyGYPWUOAXYJCOOI-UHFFFAOYSA-N
MW347.24 g/mol
LogP1.16
Rot. Bonds3

About methyl N,N'-bis(pyridine-3-carbonyl)carbamimidoselenoate

methyl N,N'-bis(pyridine-3-carbonyl)carbamimidoselenoate (PubChem CID 52913094) has the molecular formula C14H12N4O2Se and a molecular weight of 347.24 g/mol. Its IUPAC name is methyl N,N'-bis(pyridine-3-carbonyl)carbamimidoselenoate.

Molecular Properties

Compound Namemethyl N,N'-bis(pyridine-3-carbonyl)carbamimidoselenoate
PubChem CID52913094
Molecular FormulaC14H12N4O2Se
Molecular Weight347.24 g/mol
Exact Mass348.01
IUPAC Namemethyl N,N'-bis(pyridine-3-carbonyl)carbamimidoselenoate
SMILESC[Se]/C(=N\C(=O)c1cccnc1)NC(=O)c1cccnc1
InChIInChI=1S/C14H12N4O2Se/c1-21-14(17-12(19)10-4-2-6-15-8-10)18-13(20)11-5-3-7-16-9-11/h2-9H,1H3,(H,17,18,19,20)
InChIKeyGYPWUOAXYJCOOI-UHFFFAOYSA-N
XLogP1.16
TPSA84.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.24
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-methylpyridine-3-carboxamide chloride
CID 20976730
N-sulfanylidenepyridine-3-carboxamide
CID 23289350
trimethyl-(pyridine-3-carbonylamino)azanium
CID 177120197
1-phenyl-2-pyridin-3-ylethane-1,2-dione
CID 10987556
N-(4-acetamidophenyl)pyridine-3-carboxamide
CID 766053
(111C)methyl pyridine-3-carboxylate
CID 11309537
N-[(E)-1-phenylhexylideneamino]pyridine-3-carboxamide
CID 5337549
N-[(Z)-1-(2,4,5-trimethylphenyl)ethylideneamino]pyridine-3-carboxamide
CID 9059755
N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]pyridine-3-carboxamide
CID 135889728
N-[(Z)-1-(4-iodophenyl)ethylideneamino]pyridine-3-carboxamide
CID 9059749
2-(methylamino)-1-pyridin-3-ylprop-2-en-1-one
CID 141355230
1-pyridin-3-ylethanone;hydrochloride
CID 69233376

Frequently Asked Questions

What is the IUPAC name of methyl N,N'-bis(pyridine-3-carbonyl)carbamimidoselenoate?
The IUPAC name of methyl N,N'-bis(pyridine-3-carbonyl)carbamimidoselenoate (CID 52913094) is methyl N,N'-bis(pyridine-3-carbonyl)carbamimidoselenoate.
What is the SMILES notation for methyl N,N'-bis(pyridine-3-carbonyl)carbamimidoselenoate?
The canonical SMILES for methyl N,N'-bis(pyridine-3-carbonyl)carbamimidoselenoate is C[Se]/C(=N\C(=O)c1cccnc1)NC(=O)c1cccnc1.
What is the InChIKey of methyl N,N'-bis(pyridine-3-carbonyl)carbamimidoselenoate?
The InChIKey is GYPWUOAXYJCOOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O2Se/c1-21-14(17-12(19)10-4-2-6-15-8-10)18-13(20)11-5-3-7-16-9-11/h2-9H,1H3,(H,17,18,19,20).
What are the key properties of methyl N,N'-bis(pyridine-3-carbonyl)carbamimidoselenoate?
methyl N,N'-bis(pyridine-3-carbonyl)carbamimidoselenoate has a molecular weight of 347.24 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N,N'-bis(pyridine-3-carbonyl)carbamimidoselenoate is sourced from PubChem (CID 52913094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).