(5-cyano-6-ethyl-2-pyridinyl) carbamate

C9H9N3O2 — CID 175129817

IUPAC(5-cyano-6-ethyl-2-pyridinyl) carbamate
SMILESCCc1nc(OC(N)=O)ccc1C#N
InChIInChI=1S/C9H9N3O2/c1-2-7-6(5-10)3-4-8(12-7)14-9(11)13/h3-4H,2H2,1H3,(H2,11,13)
InChIKeyJXRUGKZVRMZEQI-UHFFFAOYSA-N
MW191.19 g/mol
LogP0.97
Rot. Bonds2

About (5-cyano-6-ethyl-2-pyridinyl) carbamate

(5-cyano-6-ethyl-2-pyridinyl) carbamate (PubChem CID 175129817) has the molecular formula C9H9N3O2 and a molecular weight of 191.19 g/mol. Its IUPAC name is (5-cyano-6-ethyl-2-pyridinyl) carbamate.

Molecular Properties

Compound Name(5-cyano-6-ethyl-2-pyridinyl) carbamate
PubChem CID175129817
Molecular FormulaC9H9N3O2
Molecular Weight191.19 g/mol
Exact Mass191.07
IUPAC Name(5-cyano-6-ethyl-2-pyridinyl) carbamate
SMILESCCc1nc(OC(N)=O)ccc1C#N
InChIInChI=1S/C9H9N3O2/c1-2-7-6(5-10)3-4-8(12-7)14-9(11)13/h3-4H,2H2,1H3,(H2,11,13)
InChIKeyJXRUGKZVRMZEQI-UHFFFAOYSA-N
XLogP0.97
TPSA89.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(6-chloro-5-cyano-2-pyridinyl) propanoate
CID 175203357
tert-butyl N-(5-cyano-6-ethyl-2-pyridinyl)carbamate
CID 18926411
ethyl 2-[(3-cyano-6-methyl-2-pyridinyl)sulfanyl]acetate
CID 5058723
ethyl 6-cyano-2-ethylpyridine-3-carboxylate
CID 141150899
propyl 5-cyano-6-methylpyridine-2-carboxylate
CID 112727103
(6-benzoyloxy-3-cyano-2-pyridinyl) 4-methylbenzoate
CID 54430251
(3-ethyl-1,2-thiazol-4-yl) carbamate
CID 175535886
2-chloro-6-ethoxypyridine-3-carbonitrile
CID 14687435
methyl 3-cyano-6-(trifluoromethoxy)pyridine-2-carboxylate
CID 133097035
[5-cyano-4-[[(2R)-1-methoxypropan-2-yl]amino]-2-pyridinyl] carbamate
CID 175225504
(6-chloro-5-cyano-2-pyridinyl) ethanesulfonate
CID 174986490
[4-cyano-3-(4-hydroxybutyl)phenyl] carbamate
CID 175595547

Frequently Asked Questions

What is the IUPAC name of (5-cyano-6-ethyl-2-pyridinyl) carbamate?
The IUPAC name of (5-cyano-6-ethyl-2-pyridinyl) carbamate (CID 175129817) is (5-cyano-6-ethyl-2-pyridinyl) carbamate.
What is the SMILES notation for (5-cyano-6-ethyl-2-pyridinyl) carbamate?
The canonical SMILES for (5-cyano-6-ethyl-2-pyridinyl) carbamate is CCc1nc(OC(N)=O)ccc1C#N.
What is the InChIKey of (5-cyano-6-ethyl-2-pyridinyl) carbamate?
The InChIKey is JXRUGKZVRMZEQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O2/c1-2-7-6(5-10)3-4-8(12-7)14-9(11)13/h3-4H,2H2,1H3,(H2,11,13).
What are the key properties of (5-cyano-6-ethyl-2-pyridinyl) carbamate?
(5-cyano-6-ethyl-2-pyridinyl) carbamate has a molecular weight of 191.19 g/mol, XLogP of 0.97, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-cyano-6-ethyl-2-pyridinyl) carbamate is sourced from PubChem (CID 175129817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).