phenyl N-(5-cyano-2-pyridinyl)carbamate

C13H9N3O2 — CID 57469773

IUPACphenyl N-(5-cyano-2-pyridinyl)carbamate
SMILESN#Cc1ccc(NC(=O)Oc2ccccc2)nc1
InChIInChI=1S/C13H9N3O2/c14-8-10-6-7-12(15-9-10)16-13(17)18-11-4-2-1-3-5-11/h1-7,9H,(H,15,16,17)
InChIKeyBGVAIBDDJMMAML-UHFFFAOYSA-N
MW239.23 g/mol
LogP2.56
Rot. Bonds2

About phenyl N-(5-cyano-2-pyridinyl)carbamate

phenyl N-(5-cyano-2-pyridinyl)carbamate (PubChem CID 57469773) has the molecular formula C13H9N3O2 and a molecular weight of 239.23 g/mol. Its IUPAC name is phenyl N-(5-cyano-2-pyridinyl)carbamate.

Molecular Properties

Compound Namephenyl N-(5-cyano-2-pyridinyl)carbamate
PubChem CID57469773
Molecular FormulaC13H9N3O2
Molecular Weight239.23 g/mol
Exact Mass239.07
IUPAC Namephenyl N-(5-cyano-2-pyridinyl)carbamate
SMILESN#Cc1ccc(NC(=O)Oc2ccccc2)nc1
InChIInChI=1S/C13H9N3O2/c14-8-10-6-7-12(15-9-10)16-13(17)18-11-4-2-1-3-5-11/h1-7,9H,(H,15,16,17)
InChIKeyBGVAIBDDJMMAML-UHFFFAOYSA-N
XLogP2.56
TPSA75.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-cyano-2-pyridinyl)benzamide
CID 23072953
N-(5-cyano-2-pyridinyl)-2-phenylacetamide
CID 62355347
propan-2-yl N-(5-cyano-2-pyridinyl)carbamate
CID 62353732
N-(5-cyano-2-pyridinyl)-1-phenylcyclopropane-1-carboxamide
CID 62880545
2-chloro-N-(5-cyano-2-pyridinyl)acetamide
CID 44574293
1-(5-cyano-2-pyridinyl)-3-(3-methoxyphenyl)urea
CID 62353543
3-(5-cyano-2-pyridinyl)-1,1-dimethylurea
CID 79153512
6-(3-phenoxypropylamino)pyridine-3-carbonitrile
CID 60706290
N-(5-cyano-2-pyridinyl)-2,6-dimethoxybenzamide
CID 62354736
phenyl N-(3-cyano-2-pyridinyl)carbamate
CID 110472420
1-[5-[(5-cyano-2-pyridinyl)amino]-3-pyridinyl]-3-phenylurea
CID 154724914
phenyl N-(4-cyano-1-methylpyrazol-5-yl)carbamate
CID 79503955

Frequently Asked Questions

What is the IUPAC name of phenyl N-(5-cyano-2-pyridinyl)carbamate?
The IUPAC name of phenyl N-(5-cyano-2-pyridinyl)carbamate (CID 57469773) is phenyl N-(5-cyano-2-pyridinyl)carbamate.
What is the SMILES notation for phenyl N-(5-cyano-2-pyridinyl)carbamate?
The canonical SMILES for phenyl N-(5-cyano-2-pyridinyl)carbamate is N#Cc1ccc(NC(=O)Oc2ccccc2)nc1.
What is the InChIKey of phenyl N-(5-cyano-2-pyridinyl)carbamate?
The InChIKey is BGVAIBDDJMMAML-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N3O2/c14-8-10-6-7-12(15-9-10)16-13(17)18-11-4-2-1-3-5-11/h1-7,9H,(H,15,16,17).
What are the key properties of phenyl N-(5-cyano-2-pyridinyl)carbamate?
phenyl N-(5-cyano-2-pyridinyl)carbamate has a molecular weight of 239.23 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-(5-cyano-2-pyridinyl)carbamate is sourced from PubChem (CID 57469773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).