2-ethoxy-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]naphthalene-1-carboxamide

C23H24FN3O3 — CID 90634235

IUPAC2-ethoxy-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]naphthalene-1-carboxamide
SMILESCCOc1ccc2ccccc2c1C(=O)NC1CCC(Oc2ncc(F)cn2)CC1
InChIInChI=1S/C23H24FN3O3/c1-2-29-20-12-7-15-5-3-4-6-19(15)21(20)22(28)27-17-8-10-18(11-9-17)30-23-25-13-16(24)14-26-23/h3-7,12-14,17-18H,2,8-11H2,1H3,(H,27,28)
InChIKeyUPYGBBKFQXQOSC-UHFFFAOYSA-N
MW409.46 g/mol
LogP4.29
Rot. Bonds6

About 2-ethoxy-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]naphthalene-1-carboxamide

2-ethoxy-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]naphthalene-1-carboxamide (PubChem CID 90634235) has the molecular formula C23H24FN3O3 and a molecular weight of 409.46 g/mol. Its IUPAC name is 2-ethoxy-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]naphthalene-1-carboxamide.

Molecular Properties

Compound Name2-ethoxy-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]naphthalene-1-carboxamide
PubChem CID90634235
Molecular FormulaC23H24FN3O3
Molecular Weight409.46 g/mol
Exact Mass409.18
IUPAC Name2-ethoxy-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]naphthalene-1-carboxamide
SMILESCCOc1ccc2ccccc2c1C(=O)NC1CCC(Oc2ncc(F)cn2)CC1
InChIInChI=1S/C23H24FN3O3/c1-2-29-20-12-7-15-5-3-4-6-19(15)21(20)22(28)27-17-8-10-18(11-9-17)30-23-25-13-16(24)14-26-23/h3-7,12-14,17-18H,2,8-11H2,1H3,(H,27,28)
InChIKeyUPYGBBKFQXQOSC-UHFFFAOYSA-N
XLogP4.29
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.46
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-3-naphthalen-1-ylurea
CID 90634481
2-ethoxy-N-(1-propylpiperidin-4-yl)naphthalene-1-carboxamide
CID 17173537
N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]pyridine-2-carboxamide
CID 91626394
2-bromo-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]benzamide
CID 90634210
4-butoxy-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]benzamide
CID 90634200
2-(2-fluorophenoxy)-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]acetamide
CID 90634253
2-ethoxy-N-(2-ethoxypyrimidin-5-yl)naphthalene-1-carboxamide
CID 122301952
2-ethoxy-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]acetamide
CID 91626367
ethyl 2-[[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]amino]-2-oxoacetate
CID 90634183
N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-3-phenylpropanamide
CID 91626381
N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-2-indol-1-ylacetamide
CID 90634118
N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-1-methyltriazole-4-carboxamide
CID 90634332

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]naphthalene-1-carboxamide?
The IUPAC name of 2-ethoxy-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]naphthalene-1-carboxamide (CID 90634235) is 2-ethoxy-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]naphthalene-1-carboxamide.
What is the SMILES notation for 2-ethoxy-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]naphthalene-1-carboxamide?
The canonical SMILES for 2-ethoxy-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]naphthalene-1-carboxamide is CCOc1ccc2ccccc2c1C(=O)NC1CCC(Oc2ncc(F)cn2)CC1.
What is the InChIKey of 2-ethoxy-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]naphthalene-1-carboxamide?
The InChIKey is UPYGBBKFQXQOSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN3O3/c1-2-29-20-12-7-15-5-3-4-6-19(15)21(20)22(28)27-17-8-10-18(11-9-17)30-23-25-13-16(24)14-26-23/h3-7,12-14,17-18H,2,8-11H2,1H3,(H,27,28).
What are the key properties of 2-ethoxy-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]naphthalene-1-carboxamide?
2-ethoxy-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]naphthalene-1-carboxamide has a molecular weight of 409.46 g/mol, XLogP of 4.29, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]naphthalene-1-carboxamide is sourced from PubChem (CID 90634235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).