ethyl 4-[(6-methoxy-3-pyridinyl)methylamino]cyclohexane-1-carboxylate

C16H24N2O3 — CID 115904668

IUPACethyl 4-[(6-methoxy-3-pyridinyl)methylamino]cyclohexane-1-carboxylate
SMILESCCOC(=O)C1CCC(NCc2ccc(OC)nc2)CC1
InChIInChI=1S/C16H24N2O3/c1-3-21-16(19)13-5-7-14(8-6-13)17-10-12-4-9-15(20-2)18-11-12/h4,9,11,13-14,17H,3,5-8,10H2,1-2H3
InChIKeyBUQBWNXQRFBYFI-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.30
Rot. Bonds6

About ethyl 4-[(6-methoxy-3-pyridinyl)methylamino]cyclohexane-1-carboxylate

ethyl 4-[(6-methoxy-3-pyridinyl)methylamino]cyclohexane-1-carboxylate (PubChem CID 115904668) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is ethyl 4-[(6-methoxy-3-pyridinyl)methylamino]cyclohexane-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(6-methoxy-3-pyridinyl)methylamino]cyclohexane-1-carboxylate
PubChem CID115904668
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Nameethyl 4-[(6-methoxy-3-pyridinyl)methylamino]cyclohexane-1-carboxylate
SMILESCCOC(=O)C1CCC(NCc2ccc(OC)nc2)CC1
InChIInChI=1S/C16H24N2O3/c1-3-21-16(19)13-5-7-14(8-6-13)17-10-12-4-9-15(20-2)18-11-12/h4,9,11,13-14,17H,3,5-8,10H2,1-2H3
InChIKeyBUQBWNXQRFBYFI-UHFFFAOYSA-N
XLogP2.30
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(6-methoxy-3-pyridinyl)methylamino]cyclohexane-1-carboxylate?
The IUPAC name of ethyl 4-[(6-methoxy-3-pyridinyl)methylamino]cyclohexane-1-carboxylate (CID 115904668) is ethyl 4-[(6-methoxy-3-pyridinyl)methylamino]cyclohexane-1-carboxylate.
What is the SMILES notation for ethyl 4-[(6-methoxy-3-pyridinyl)methylamino]cyclohexane-1-carboxylate?
The canonical SMILES for ethyl 4-[(6-methoxy-3-pyridinyl)methylamino]cyclohexane-1-carboxylate is CCOC(=O)C1CCC(NCc2ccc(OC)nc2)CC1.
What is the InChIKey of ethyl 4-[(6-methoxy-3-pyridinyl)methylamino]cyclohexane-1-carboxylate?
The InChIKey is BUQBWNXQRFBYFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-3-21-16(19)13-5-7-14(8-6-13)17-10-12-4-9-15(20-2)18-11-12/h4,9,11,13-14,17H,3,5-8,10H2,1-2H3.
What are the key properties of ethyl 4-[(6-methoxy-3-pyridinyl)methylamino]cyclohexane-1-carboxylate?
ethyl 4-[(6-methoxy-3-pyridinyl)methylamino]cyclohexane-1-carboxylate has a molecular weight of 292.38 g/mol, XLogP of 2.30, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(6-methoxy-3-pyridinyl)methylamino]cyclohexane-1-carboxylate is sourced from PubChem (CID 115904668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).