ethyl 2-[4-[2-(pyridin-2-ylamino)ethylamino]cyclohexyl]acetate

C17H27N3O2 — CID 86722966

IUPACethyl 2-[4-[2-(pyridin-2-ylamino)ethylamino]cyclohexyl]acetate
SMILESCCOC(=O)CC1CCC(NCCNc2ccccn2)CC1
InChIInChI=1S/C17H27N3O2/c1-2-22-17(21)13-14-6-8-15(9-7-14)18-11-12-20-16-5-3-4-10-19-16/h3-5,10,14-15,18H,2,6-9,11-13H2,1H3,(H,19,20)
InChIKeyXNSZBTUKGKRGSW-UHFFFAOYSA-N
MW305.42 g/mol
LogP2.60
Rot. Bonds8

About ethyl 2-[4-[2-(pyridin-2-ylamino)ethylamino]cyclohexyl]acetate

ethyl 2-[4-[2-(pyridin-2-ylamino)ethylamino]cyclohexyl]acetate (PubChem CID 86722966) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is ethyl 2-[4-[2-(pyridin-2-ylamino)ethylamino]cyclohexyl]acetate.

Molecular Properties

Compound Nameethyl 2-[4-[2-(pyridin-2-ylamino)ethylamino]cyclohexyl]acetate
PubChem CID86722966
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC Nameethyl 2-[4-[2-(pyridin-2-ylamino)ethylamino]cyclohexyl]acetate
SMILESCCOC(=O)CC1CCC(NCCNc2ccccn2)CC1
InChIInChI=1S/C17H27N3O2/c1-2-22-17(21)13-14-6-8-15(9-7-14)18-11-12-20-16-5-3-4-10-19-16/h3-5,10,14-15,18H,2,6-9,11-13H2,1H3,(H,19,20)
InChIKeyXNSZBTUKGKRGSW-UHFFFAOYSA-N
XLogP2.60
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze ethyl 2-[4-[2-(pyridin-2-ylamino)ethylamino]cyclohexyl]acetate 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-(4-{[3-(2-Cyano-acetylamino)-4-methyl-pyridin-2-ylamino]-methyl}-phenyl)-cyclohex-3-enecarboxylic acid methyl ester
CID 11281533
N-{2-methyl-1-[(pyridin-2-ylamino)carbonyl]propyl}cyclohexanecarboxamide
CID 3239768
N-{4-methyl-1-oxo-1-[4-(pyridin-2-yl)piperazin-1-yl]pentan-2-yl}cyclohexanecarboxamide
CID 9550400
2-(Pyridin-2-ylcarbamoyl)cyclohexane-1-carboxylic acid
CID 350697
Methyl 2-[4-[(4-pyridin-2-ylpiperazine-1-carbothioyl)amino]phenyl]acetate
CID 1289678
4-methyl-N-[3-methyl-1-oxo-1-(pyridin-2-ylamino)butan-2-yl]cyclohexane-1-carboxamide
CID 4058680
AD-1491
CID 3059294
N~2~-[(4-methylcyclohexyl)carbonyl]-N-pyridin-2-ylleucinamide
CID 3242302
Methyl 2-[4-[[[3-[(2-cyanoacetyl)amino]-4-methyl-2-pyridinyl]amino]methyl]phenyl]cyclohexane-1-carboxylate
CID 44392156
Ethyl 2-[(6-amino-3-pyridinyl)methyl]-3-propanoylselanylpropanoate
CID 66563231
(4R,5R,6R)-1-ethyl-6-methyl-4-phenyl-2-[2-(3-pyridinyl)ethylamino]-5,6-dihydro-4H-pyrimidine-5-carboxylic acid methyl ester
CID 135693590
3,3-diethyl-5-(2-(4-(pyridin-2-yl)piperazin-1-yl)ethyl)dihydrofuran-2(3H)-one
CID 86274343

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-[2-(pyridin-2-ylamino)ethylamino]cyclohexyl]acetate?
The IUPAC name of ethyl 2-[4-[2-(pyridin-2-ylamino)ethylamino]cyclohexyl]acetate (CID 86722966) is ethyl 2-[4-[2-(pyridin-2-ylamino)ethylamino]cyclohexyl]acetate.
What is the SMILES notation for ethyl 2-[4-[2-(pyridin-2-ylamino)ethylamino]cyclohexyl]acetate?
The canonical SMILES for ethyl 2-[4-[2-(pyridin-2-ylamino)ethylamino]cyclohexyl]acetate is CCOC(=O)CC1CCC(NCCNc2ccccn2)CC1.
What is the InChIKey of ethyl 2-[4-[2-(pyridin-2-ylamino)ethylamino]cyclohexyl]acetate?
The InChIKey is XNSZBTUKGKRGSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-2-22-17(21)13-14-6-8-15(9-7-14)18-11-12-20-16-5-3-4-10-19-16/h3-5,10,14-15,18H,2,6-9,11-13H2,1H3,(H,19,20).
What are the key properties of ethyl 2-[4-[2-(pyridin-2-ylamino)ethylamino]cyclohexyl]acetate?
ethyl 2-[4-[2-(pyridin-2-ylamino)ethylamino]cyclohexyl]acetate has a molecular weight of 305.42 g/mol, XLogP of 2.60, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-[2-(pyridin-2-ylamino)ethylamino]cyclohexyl]acetate is sourced from PubChem (CID 86722966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).