ethyl 2-[6-[5-[(4-methylcyclohexyl)methoxy]-3-pyridinyl]-2-pyridinyl]cyclopropane-1-carboxylate

C24H30N2O3 — CID 167567003

IUPACethyl 2-[6-[5-[(4-methylcyclohexyl)methoxy]-3-pyridinyl]-2-pyridinyl]cyclopropane-1-carboxylate
SMILESCCOC(=O)C1CC1c1cccc(-c2cncc(OCC3CCC(C)CC3)c2)n1
InChIInChI=1S/C24H30N2O3/c1-3-28-24(27)21-12-20(21)23-6-4-5-22(26-23)18-11-19(14-25-13-18)29-15-17-9-7-16(2)8-10-17/h4-6,11,13-14,16-17,20-21H,3,7-10,12,15H2,1-2H3
InChIKeyKCYLZJMOLOLFAJ-UHFFFAOYSA-N
MW394.52 g/mol
LogP5.02
Rot. Bonds7

About ethyl 2-[6-[5-[(4-methylcyclohexyl)methoxy]-3-pyridinyl]-2-pyridinyl]cyclopropane-1-carboxylate

ethyl 2-[6-[5-[(4-methylcyclohexyl)methoxy]-3-pyridinyl]-2-pyridinyl]cyclopropane-1-carboxylate (PubChem CID 167567003) has the molecular formula C24H30N2O3 and a molecular weight of 394.52 g/mol. Its IUPAC name is ethyl 2-[6-[5-[(4-methylcyclohexyl)methoxy]-3-pyridinyl]-2-pyridinyl]cyclopropane-1-carboxylate.

Molecular Properties

Compound Nameethyl 2-[6-[5-[(4-methylcyclohexyl)methoxy]-3-pyridinyl]-2-pyridinyl]cyclopropane-1-carboxylate
PubChem CID167567003
Molecular FormulaC24H30N2O3
Molecular Weight394.52 g/mol
Exact Mass394.23
IUPAC Nameethyl 2-[6-[5-[(4-methylcyclohexyl)methoxy]-3-pyridinyl]-2-pyridinyl]cyclopropane-1-carboxylate
SMILESCCOC(=O)C1CC1c1cccc(-c2cncc(OCC3CCC(C)CC3)c2)n1
InChIInChI=1S/C24H30N2O3/c1-3-28-24(27)21-12-20(21)23-6-4-5-22(26-23)18-11-19(14-25-13-18)29-15-17-9-7-16(2)8-10-17/h4-6,11,13-14,16-17,20-21H,3,7-10,12,15H2,1-2H3
InChIKeyKCYLZJMOLOLFAJ-UHFFFAOYSA-N
XLogP5.02
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.52
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[6-[5-[(4-methylcyclohexyl)methoxy]-3-pyridinyl]-2-pyridinyl]cyclopropane-1-carboxylate?
The IUPAC name of ethyl 2-[6-[5-[(4-methylcyclohexyl)methoxy]-3-pyridinyl]-2-pyridinyl]cyclopropane-1-carboxylate (CID 167567003) is ethyl 2-[6-[5-[(4-methylcyclohexyl)methoxy]-3-pyridinyl]-2-pyridinyl]cyclopropane-1-carboxylate.
What is the SMILES notation for ethyl 2-[6-[5-[(4-methylcyclohexyl)methoxy]-3-pyridinyl]-2-pyridinyl]cyclopropane-1-carboxylate?
The canonical SMILES for ethyl 2-[6-[5-[(4-methylcyclohexyl)methoxy]-3-pyridinyl]-2-pyridinyl]cyclopropane-1-carboxylate is CCOC(=O)C1CC1c1cccc(-c2cncc(OCC3CCC(C)CC3)c2)n1.
What is the InChIKey of ethyl 2-[6-[5-[(4-methylcyclohexyl)methoxy]-3-pyridinyl]-2-pyridinyl]cyclopropane-1-carboxylate?
The InChIKey is KCYLZJMOLOLFAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O3/c1-3-28-24(27)21-12-20(21)23-6-4-5-22(26-23)18-11-19(14-25-13-18)29-15-17-9-7-16(2)8-10-17/h4-6,11,13-14,16-17,20-21H,3,7-10,12,15H2,1-2H3.
What are the key properties of ethyl 2-[6-[5-[(4-methylcyclohexyl)methoxy]-3-pyridinyl]-2-pyridinyl]cyclopropane-1-carboxylate?
ethyl 2-[6-[5-[(4-methylcyclohexyl)methoxy]-3-pyridinyl]-2-pyridinyl]cyclopropane-1-carboxylate has a molecular weight of 394.52 g/mol, XLogP of 5.02, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[6-[5-[(4-methylcyclohexyl)methoxy]-3-pyridinyl]-2-pyridinyl]cyclopropane-1-carboxylate is sourced from PubChem (CID 167567003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).