phenyl N-(3-cyano-2-pyridinyl)carbamate

C13H9N3O2 — CID 110472420

IUPACphenyl N-(3-cyano-2-pyridinyl)carbamate
SMILESN#Cc1cccnc1NC(=O)Oc1ccccc1
InChIInChI=1S/C13H9N3O2/c14-9-10-5-4-8-15-12(10)16-13(17)18-11-6-2-1-3-7-11/h1-8H,(H,15,16,17)
InChIKeyADBVPOQKRGQORL-UHFFFAOYSA-N
MW239.23 g/mol
LogP2.56
Rot. Bonds2

About phenyl N-(3-cyano-2-pyridinyl)carbamate

phenyl N-(3-cyano-2-pyridinyl)carbamate (PubChem CID 110472420) has the molecular formula C13H9N3O2 and a molecular weight of 239.23 g/mol. Its IUPAC name is phenyl N-(3-cyano-2-pyridinyl)carbamate.

Molecular Properties

Compound Namephenyl N-(3-cyano-2-pyridinyl)carbamate
PubChem CID110472420
Molecular FormulaC13H9N3O2
Molecular Weight239.23 g/mol
Exact Mass239.07
IUPAC Namephenyl N-(3-cyano-2-pyridinyl)carbamate
SMILESN#Cc1cccnc1NC(=O)Oc1ccccc1
InChIInChI=1S/C13H9N3O2/c14-9-10-5-4-8-15-12(10)16-13(17)18-11-6-2-1-3-7-11/h1-8H,(H,15,16,17)
InChIKeyADBVPOQKRGQORL-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

1-(3-cyano-2-pyridinyl)-3-phenylurea
CID 110472230
2-amino-N-(3-cyano-2-pyridinyl)benzamide
CID 110474340
phenyl N-[5-cyano-6-(triazol-2-yl)-3-pyridinyl]carbamate
CID 155201986
N-(3-cyano-2-pyridinyl)-2-(methylamino)acetamide
CID 110470457
2-chloro-N-[(3-cyano-2-pyridinyl)carbamoyl]acetamide
CID 175502702
phenyl N-(5-cyano-2-pyridinyl)carbamate
CID 57469773
N-(3-cyano-2-pyridinyl)-6-phenylhexanamide
CID 86616590
phenyl N-(4-cyano-1-methylpyrazol-5-yl)carbamate
CID 79503955
methyl 3-[(3-cyano-2-pyridinyl)amino]propanoate
CID 55028439
1-(4-chlorophenyl)-3-(3-cyano-2-pyridinyl)urea
CID 110473501
N-(3-cyano-2-pyridinyl)-1H-pyrrole-2-carboxamide
CID 110470804
phenyl 4-(3-cyano-2-pyridinyl)piperazine-1-carboxylate
CID 51278531

Frequently Asked Questions

What is the IUPAC name of phenyl N-(3-cyano-2-pyridinyl)carbamate?
The IUPAC name of phenyl N-(3-cyano-2-pyridinyl)carbamate (CID 110472420) is phenyl N-(3-cyano-2-pyridinyl)carbamate.
What is the SMILES notation for phenyl N-(3-cyano-2-pyridinyl)carbamate?
The canonical SMILES for phenyl N-(3-cyano-2-pyridinyl)carbamate is N#Cc1cccnc1NC(=O)Oc1ccccc1.
What is the InChIKey of phenyl N-(3-cyano-2-pyridinyl)carbamate?
The InChIKey is ADBVPOQKRGQORL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N3O2/c14-9-10-5-4-8-15-12(10)16-13(17)18-11-6-2-1-3-7-11/h1-8H,(H,15,16,17).
What are the key properties of phenyl N-(3-cyano-2-pyridinyl)carbamate?
phenyl N-(3-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-(3-cyano-2-pyridinyl)carbamate is sourced from PubChem (CID 110472420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).