[1-[(6-chloro-3-pyridinyl)methyl]-6-oxo-2,3-dihydropyrazin-5-yl]cyanamide

C11H10ClN5O — CID 10945285

IUPAC[1-[(6-chloro-3-pyridinyl)methyl]-6-oxo-2,3-dihydropyrazin-5-yl]cyanamide
SMILESN#CNC1=NCCN(Cc2ccc(Cl)nc2)C1=O
InChIInChI=1S/C11H10ClN5O/c12-9-2-1-8(5-15-9)6-17-4-3-14-10(11(17)18)16-7-13/h1-2,5H,3-4,6H2,(H,14,16)
InChIKeyWMRMVQPCEGWFLZ-UHFFFAOYSA-N
MW263.69 g/mol
LogP0.55
Rot. Bonds2

About [1-[(6-chloro-3-pyridinyl)methyl]-6-oxo-2,3-dihydropyrazin-5-yl]cyanamide

[1-[(6-chloro-3-pyridinyl)methyl]-6-oxo-2,3-dihydropyrazin-5-yl]cyanamide (PubChem CID 10945285) has the molecular formula C11H10ClN5O and a molecular weight of 263.69 g/mol. Its IUPAC name is [1-[(6-chloro-3-pyridinyl)methyl]-6-oxo-2,3-dihydropyrazin-5-yl]cyanamide.

Molecular Properties

Compound Name[1-[(6-chloro-3-pyridinyl)methyl]-6-oxo-2,3-dihydropyrazin-5-yl]cyanamide
PubChem CID10945285
Molecular FormulaC11H10ClN5O
Molecular Weight263.69 g/mol
Exact Mass263.06
IUPAC Name[1-[(6-chloro-3-pyridinyl)methyl]-6-oxo-2,3-dihydropyrazin-5-yl]cyanamide
SMILESN#CNC1=NCCN(Cc2ccc(Cl)nc2)C1=O
InChIInChI=1S/C11H10ClN5O/c12-9-2-1-8(5-15-9)6-17-4-3-14-10(11(17)18)16-7-13/h1-2,5H,3-4,6H2,(H,14,16)
InChIKeyWMRMVQPCEGWFLZ-UHFFFAOYSA-N
XLogP0.55
TPSA81.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.69
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [1-[(6-chloro-3-pyridinyl)methyl]-6-oxo-2,3-dihydropyrazin-5-yl]cyanamide?
The IUPAC name of [1-[(6-chloro-3-pyridinyl)methyl]-6-oxo-2,3-dihydropyrazin-5-yl]cyanamide (CID 10945285) is [1-[(6-chloro-3-pyridinyl)methyl]-6-oxo-2,3-dihydropyrazin-5-yl]cyanamide.
What is the SMILES notation for [1-[(6-chloro-3-pyridinyl)methyl]-6-oxo-2,3-dihydropyrazin-5-yl]cyanamide?
The canonical SMILES for [1-[(6-chloro-3-pyridinyl)methyl]-6-oxo-2,3-dihydropyrazin-5-yl]cyanamide is N#CNC1=NCCN(Cc2ccc(Cl)nc2)C1=O.
What is the InChIKey of [1-[(6-chloro-3-pyridinyl)methyl]-6-oxo-2,3-dihydropyrazin-5-yl]cyanamide?
The InChIKey is WMRMVQPCEGWFLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN5O/c12-9-2-1-8(5-15-9)6-17-4-3-14-10(11(17)18)16-7-13/h1-2,5H,3-4,6H2,(H,14,16).
What are the key properties of [1-[(6-chloro-3-pyridinyl)methyl]-6-oxo-2,3-dihydropyrazin-5-yl]cyanamide?
[1-[(6-chloro-3-pyridinyl)methyl]-6-oxo-2,3-dihydropyrazin-5-yl]cyanamide has a molecular weight of 263.69 g/mol, XLogP of 0.55, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(6-chloro-3-pyridinyl)methyl]-6-oxo-2,3-dihydropyrazin-5-yl]cyanamide is sourced from PubChem (CID 10945285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).