ethyl 4-(pyridin-4-ylamino)cyclohexane-1-carboxylate

C14H20N2O2 — CID 115149176

IUPACethyl 4-(pyridin-4-ylamino)cyclohexane-1-carboxylate
SMILESCCOC(=O)C1CCC(Nc2ccncc2)CC1
InChIInChI=1S/C14H20N2O2/c1-2-18-14(17)11-3-5-12(6-4-11)16-13-7-9-15-10-8-13/h7-12H,2-6H2,1H3,(H,15,16)
InChIKeyYRRRGWRNBXXWIC-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.62
Rot. Bonds4

About ethyl 4-(pyridin-4-ylamino)cyclohexane-1-carboxylate

ethyl 4-(pyridin-4-ylamino)cyclohexane-1-carboxylate (PubChem CID 115149176) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is ethyl 4-(pyridin-4-ylamino)cyclohexane-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(pyridin-4-ylamino)cyclohexane-1-carboxylate
PubChem CID115149176
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Nameethyl 4-(pyridin-4-ylamino)cyclohexane-1-carboxylate
SMILESCCOC(=O)C1CCC(Nc2ccncc2)CC1
InChIInChI=1S/C14H20N2O2/c1-2-18-14(17)11-3-5-12(6-4-11)16-13-7-9-15-10-8-13/h7-12H,2-6H2,1H3,(H,15,16)
InChIKeyYRRRGWRNBXXWIC-UHFFFAOYSA-N
XLogP2.62
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(pyridin-4-ylamino)cyclohexane-1-carboxylate?
The IUPAC name of ethyl 4-(pyridin-4-ylamino)cyclohexane-1-carboxylate (CID 115149176) is ethyl 4-(pyridin-4-ylamino)cyclohexane-1-carboxylate.
What is the SMILES notation for ethyl 4-(pyridin-4-ylamino)cyclohexane-1-carboxylate?
The canonical SMILES for ethyl 4-(pyridin-4-ylamino)cyclohexane-1-carboxylate is CCOC(=O)C1CCC(Nc2ccncc2)CC1.
What is the InChIKey of ethyl 4-(pyridin-4-ylamino)cyclohexane-1-carboxylate?
The InChIKey is YRRRGWRNBXXWIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-2-18-14(17)11-3-5-12(6-4-11)16-13-7-9-15-10-8-13/h7-12H,2-6H2,1H3,(H,15,16).
What are the key properties of ethyl 4-(pyridin-4-ylamino)cyclohexane-1-carboxylate?
ethyl 4-(pyridin-4-ylamino)cyclohexane-1-carboxylate has a molecular weight of 248.33 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(pyridin-4-ylamino)cyclohexane-1-carboxylate is sourced from PubChem (CID 115149176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).