N-[4-[(5-isocyano-2-pyridinyl)oxy]cyclohexyl]acetamide

C14H17N3O2 — CID 20754818

IUPACN-[4-[(5-isocyano-2-pyridinyl)oxy]cyclohexyl]acetamide
SMILES[C-]#[N+]c1ccc(OC2CCC(NC(C)=O)CC2)nc1
InChIInChI=1S/C14H17N3O2/c1-10(18)17-11-3-6-13(7-4-11)19-14-8-5-12(15-2)9-16-14/h5,8-9,11,13H,3-4,6-7H2,1H3,(H,17,18)
InChIKeyYFFAMAAJGKXFPG-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.46
Rot. Bonds3

About N-[4-[(5-isocyano-2-pyridinyl)oxy]cyclohexyl]acetamide

N-[4-[(5-isocyano-2-pyridinyl)oxy]cyclohexyl]acetamide (PubChem CID 20754818) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is N-[4-[(5-isocyano-2-pyridinyl)oxy]cyclohexyl]acetamide.

Molecular Properties

Compound NameN-[4-[(5-isocyano-2-pyridinyl)oxy]cyclohexyl]acetamide
PubChem CID20754818
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC NameN-[4-[(5-isocyano-2-pyridinyl)oxy]cyclohexyl]acetamide
SMILES[C-]#[N+]c1ccc(OC2CCC(NC(C)=O)CC2)nc1
InChIInChI=1S/C14H17N3O2/c1-10(18)17-11-3-6-13(7-4-11)19-14-8-5-12(15-2)9-16-14/h5,8-9,11,13H,3-4,6-7H2,1H3,(H,17,18)
InChIKeyYFFAMAAJGKXFPG-UHFFFAOYSA-N
XLogP2.46
TPSA55.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze N-[4-[(5-isocyano-2-pyridinyl)oxy]cyclohexyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(2-Fluorophenoxy)pyridin-3-amine
CID 2800656
6-(4-Fluorophenoxy)pyridin-3-amine
CID 421224
5-Amino-2-butoxypyridine
CID 68314
6-Phenoxy-3-pyridinamine
CID 212856
6-{[4-({2-[(2S,5R)-2-cyano-5-ethynylpyrrolidin-1-yl]-2-oxoethyl}amino)cyclohexyl]oxy}pyridine-3-carbonitrile
CID 10339570
6-{[4-({2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl}amino)cyclohexyl]oxy}pyridine-3-carbonitrile
CID 23646143
1-(4-Methoxyphenyl)-3-(pyridin-2-ylmethyl)urea
CID 846930
N-(6-methoxypyridin-3-yl)acetamide
CID 2755701
prop-2-ynyl N-[6-(2,2,2-trifluoroethoxy)-3-pyridyl]carbamate
CID 2727277
N-[2-(2,4-difluorophenoxy)pyridin-3-yl]-2-methylacrylamide
CID 2800710
1-(4-Ethoxyphenyl)-3-(pyridin-2-ylmethyl)urea
CID 6465574
1-(4-ethoxyphenyl)-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 6494486

Frequently Asked Questions

What is the IUPAC name of N-[4-[(5-isocyano-2-pyridinyl)oxy]cyclohexyl]acetamide?
The IUPAC name of N-[4-[(5-isocyano-2-pyridinyl)oxy]cyclohexyl]acetamide (CID 20754818) is N-[4-[(5-isocyano-2-pyridinyl)oxy]cyclohexyl]acetamide.
What is the SMILES notation for N-[4-[(5-isocyano-2-pyridinyl)oxy]cyclohexyl]acetamide?
The canonical SMILES for N-[4-[(5-isocyano-2-pyridinyl)oxy]cyclohexyl]acetamide is [C-]#[N+]c1ccc(OC2CCC(NC(C)=O)CC2)nc1.
What is the InChIKey of N-[4-[(5-isocyano-2-pyridinyl)oxy]cyclohexyl]acetamide?
The InChIKey is YFFAMAAJGKXFPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-10(18)17-11-3-6-13(7-4-11)19-14-8-5-12(15-2)9-16-14/h5,8-9,11,13H,3-4,6-7H2,1H3,(H,17,18).
What are the key properties of N-[4-[(5-isocyano-2-pyridinyl)oxy]cyclohexyl]acetamide?
N-[4-[(5-isocyano-2-pyridinyl)oxy]cyclohexyl]acetamide has a molecular weight of 259.31 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(5-isocyano-2-pyridinyl)oxy]cyclohexyl]acetamide is sourced from PubChem (CID 20754818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).