methyl 2,6-diethyl-4-(4-fluorophenyl)-5-(oxan-2-yloxymethyl)pyridine-3-carboxylate

C23H28FNO4 — CID 14652778

IUPACmethyl 2,6-diethyl-4-(4-fluorophenyl)-5-(oxan-2-yloxymethyl)pyridine-3-carboxylate
SMILESCCc1nc(CC)c(C(=O)OC)c(-c2ccc(F)cc2)c1COC1CCCCO1
InChIInChI=1S/C23H28FNO4/c1-4-18-17(14-29-20-8-6-7-13-28-20)21(15-9-11-16(24)12-10-15)22(23(26)27-3)19(5-2)25-18/h9-12,20H,4-8,13-14H2,1-3H3
InChIKeyBBASUBYRTOGUNR-UHFFFAOYSA-N
MW401.48 g/mol
LogP4.84
Rot. Bonds7

About methyl 2,6-diethyl-4-(4-fluorophenyl)-5-(oxan-2-yloxymethyl)pyridine-3-carboxylate

methyl 2,6-diethyl-4-(4-fluorophenyl)-5-(oxan-2-yloxymethyl)pyridine-3-carboxylate (PubChem CID 14652778) has the molecular formula C23H28FNO4 and a molecular weight of 401.48 g/mol. Its IUPAC name is methyl 2,6-diethyl-4-(4-fluorophenyl)-5-(oxan-2-yloxymethyl)pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2,6-diethyl-4-(4-fluorophenyl)-5-(oxan-2-yloxymethyl)pyridine-3-carboxylate
PubChem CID14652778
Molecular FormulaC23H28FNO4
Molecular Weight401.48 g/mol
Exact Mass401.20
IUPAC Namemethyl 2,6-diethyl-4-(4-fluorophenyl)-5-(oxan-2-yloxymethyl)pyridine-3-carboxylate
SMILESCCc1nc(CC)c(C(=O)OC)c(-c2ccc(F)cc2)c1COC1CCCCO1
InChIInChI=1S/C23H28FNO4/c1-4-18-17(14-29-20-8-6-7-13-28-20)21(15-9-11-16(24)12-10-15)22(23(26)27-3)19(5-2)25-18/h9-12,20H,4-8,13-14H2,1-3H3
InChIKeyBBASUBYRTOGUNR-UHFFFAOYSA-N
XLogP4.84
TPSA57.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.48
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-(2-fluoro-6-methoxyphenyl)-6-(oxan-2-yloxymethyl)pyridine-3-carboxylate
CID 155342350
methyl 7-[3-(oxan-2-yloxymethyl)phenyl]naphthalene-2-carboxylate
CID 10022408
methyl 3-[(4-methoxyphenyl)methyl]-5-(oxan-2-yloxymethyl)triazole-4-carboxylate
CID 67023050
methyl 3-[2-methyl-6-(oxan-2-yloxymethyl)-4-pyridinyl]benzoate
CID 69489989
3-(difluoromethoxy)-6-methyl-2-(oxan-2-yloxymethyl)pyridine
CID 118425712
ethyl 4-(hydroxymethyl)-7-methoxy-2-(oxan-2-yloxymethyl)pyrazolo[1,5-a]pyridine-3-carboxylate
CID 58013967
methyl 4-(4-fluorophenyl)-2-methyl-5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-6-(2-methylpropyl)pyridine-3-carboxylate
CID 69445380
methyl 4-[12-(oxan-2-yloxy)dodecoxy]benzoate
CID 67066837
2-[(6-bromo-2,3-difluoro-4-methoxyphenyl)methoxy]oxane
CID 90457640
methyl 6-(4-fluorophenyl)-8-propan-2-yl-1,2,3,5-tetrahydropyrido[2,3-e][1,4]oxazepine-7-carboxylate
CID 69310281
methyl 2-[2-(oxan-2-yloxy)ethyl]-1H-indole-5-carboxylate
CID 66670956
4-[2-[6-[[(4-fluorobenzoyl)amino]methyl]-7-(oxan-2-yloxymethyl)-1,2-benzoxazol-3-yl]ethyl]piperidine-1-carboxylic acid
CID 68922620

Frequently Asked Questions

What is the IUPAC name of methyl 2,6-diethyl-4-(4-fluorophenyl)-5-(oxan-2-yloxymethyl)pyridine-3-carboxylate?
The IUPAC name of methyl 2,6-diethyl-4-(4-fluorophenyl)-5-(oxan-2-yloxymethyl)pyridine-3-carboxylate (CID 14652778) is methyl 2,6-diethyl-4-(4-fluorophenyl)-5-(oxan-2-yloxymethyl)pyridine-3-carboxylate.
What is the SMILES notation for methyl 2,6-diethyl-4-(4-fluorophenyl)-5-(oxan-2-yloxymethyl)pyridine-3-carboxylate?
The canonical SMILES for methyl 2,6-diethyl-4-(4-fluorophenyl)-5-(oxan-2-yloxymethyl)pyridine-3-carboxylate is CCc1nc(CC)c(C(=O)OC)c(-c2ccc(F)cc2)c1COC1CCCCO1.
What is the InChIKey of methyl 2,6-diethyl-4-(4-fluorophenyl)-5-(oxan-2-yloxymethyl)pyridine-3-carboxylate?
The InChIKey is BBASUBYRTOGUNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28FNO4/c1-4-18-17(14-29-20-8-6-7-13-28-20)21(15-9-11-16(24)12-10-15)22(23(26)27-3)19(5-2)25-18/h9-12,20H,4-8,13-14H2,1-3H3.
What are the key properties of methyl 2,6-diethyl-4-(4-fluorophenyl)-5-(oxan-2-yloxymethyl)pyridine-3-carboxylate?
methyl 2,6-diethyl-4-(4-fluorophenyl)-5-(oxan-2-yloxymethyl)pyridine-3-carboxylate has a molecular weight of 401.48 g/mol, XLogP of 4.84, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,6-diethyl-4-(4-fluorophenyl)-5-(oxan-2-yloxymethyl)pyridine-3-carboxylate is sourced from PubChem (CID 14652778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).