[3-[(4-cyanophenyl)carbamoyl]pyrazin-2-yl] hydrogen carbonate

C13H8N4O4 — CID 69156027

IUPAC[3-[(4-cyanophenyl)carbamoyl]pyrazin-2-yl] hydrogen carbonate
SMILESN#Cc1ccc(NC(=O)c2nccnc2OC(=O)O)cc1
InChIInChI=1S/C13H8N4O4/c14-7-8-1-3-9(4-2-8)17-11(18)10-12(21-13(19)20)16-6-5-15-10/h1-6H,(H,17,18)(H,19,20)
InChIKeySGIRXZVPKCUBOI-UHFFFAOYSA-N
MW284.23 g/mol
LogP1.66
Rot. Bonds3

About [3-[(4-cyanophenyl)carbamoyl]pyrazin-2-yl] hydrogen carbonate

[3-[(4-cyanophenyl)carbamoyl]pyrazin-2-yl] hydrogen carbonate (PubChem CID 69156027) has the molecular formula C13H8N4O4 and a molecular weight of 284.23 g/mol. Its IUPAC name is [3-[(4-cyanophenyl)carbamoyl]pyrazin-2-yl] hydrogen carbonate.

Molecular Properties

Compound Name[3-[(4-cyanophenyl)carbamoyl]pyrazin-2-yl] hydrogen carbonate
PubChem CID69156027
Molecular FormulaC13H8N4O4
Molecular Weight284.23 g/mol
Exact Mass284.05
IUPAC Name[3-[(4-cyanophenyl)carbamoyl]pyrazin-2-yl] hydrogen carbonate
SMILESN#Cc1ccc(NC(=O)c2nccnc2OC(=O)O)cc1
InChIInChI=1S/C13H8N4O4/c14-7-8-1-3-9(4-2-8)17-11(18)10-12(21-13(19)20)16-6-5-15-10/h1-6H,(H,17,18)(H,19,20)
InChIKeySGIRXZVPKCUBOI-UHFFFAOYSA-N
XLogP1.66
TPSA125.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.23
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-N-(4-cyanophenyl)pyridine-2-carboxamide
CID 104740905
2-bromo-N-(4-cyanophenyl)pyridine-3-carboxamide
CID 103754024
4-anilino-N-(4-cyanophenyl)pyridine-2-carboxamide
CID 109218921
5,6-dichloro-N-(4-cyanophenyl)pyridine-3-carboxamide
CID 2477549
4-cyano-N-[4-(pyridin-4-ylmethyl)phenyl]benzamide
CID 46799159
N-(4-cyanophenyl)-2-hydrazinylpyridine-4-carboxamide
CID 62249045
4-cyano-N-[4-(trifluoromethyl)phenyl]benzamide
CID 2684239
N-(4-cyanophenyl)furan-3-carboxamide
CID 24701301
N,N'-bis(4-cyanophenyl)propanediamide
CID 108956949
N-(4-cyanophenyl)-2-hydroxyprop-2-enamide
CID 141009909
2-chloro-N-(4-cyanophenyl)-5-fluoropyridine-3-carboxamide
CID 103893052
4-bromo-N-(4-cyanophenyl)-1,5-dimethylpyrazole-3-carboxamide
CID 35591222

Frequently Asked Questions

What is the IUPAC name of [3-[(4-cyanophenyl)carbamoyl]pyrazin-2-yl] hydrogen carbonate?
The IUPAC name of [3-[(4-cyanophenyl)carbamoyl]pyrazin-2-yl] hydrogen carbonate (CID 69156027) is [3-[(4-cyanophenyl)carbamoyl]pyrazin-2-yl] hydrogen carbonate.
What is the SMILES notation for [3-[(4-cyanophenyl)carbamoyl]pyrazin-2-yl] hydrogen carbonate?
The canonical SMILES for [3-[(4-cyanophenyl)carbamoyl]pyrazin-2-yl] hydrogen carbonate is N#Cc1ccc(NC(=O)c2nccnc2OC(=O)O)cc1.
What is the InChIKey of [3-[(4-cyanophenyl)carbamoyl]pyrazin-2-yl] hydrogen carbonate?
The InChIKey is SGIRXZVPKCUBOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8N4O4/c14-7-8-1-3-9(4-2-8)17-11(18)10-12(21-13(19)20)16-6-5-15-10/h1-6H,(H,17,18)(H,19,20).
What are the key properties of [3-[(4-cyanophenyl)carbamoyl]pyrazin-2-yl] hydrogen carbonate?
[3-[(4-cyanophenyl)carbamoyl]pyrazin-2-yl] hydrogen carbonate has a molecular weight of 284.23 g/mol, XLogP of 1.66, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(4-cyanophenyl)carbamoyl]pyrazin-2-yl] hydrogen carbonate is sourced from PubChem (CID 69156027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).