[3-(4-fluorophenyl)-5-methylphenyl] N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]carbamate

C23H23FN2O3 — CID 138557914

IUPAC[3-(4-fluorophenyl)-5-methylphenyl] N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]carbamate
SMILESCOc1c(C)cnc(CNC(=O)Oc2cc(C)cc(-c3ccc(F)cc3)c2)c1C
InChIInChI=1S/C23H23FN2O3/c1-14-9-18(17-5-7-19(24)8-6-17)11-20(10-14)29-23(27)26-13-21-16(3)22(28-4)15(2)12-25-21/h5-12H,13H2,1-4H3,(H,26,27)
InChIKeyKHGFGMQRCSZESM-UHFFFAOYSA-N
MW394.45 g/mol
LogP5.11
Rot. Bonds5

About [3-(4-fluorophenyl)-5-methylphenyl] N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]carbamate

[3-(4-fluorophenyl)-5-methylphenyl] N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]carbamate (PubChem CID 138557914) has the molecular formula C23H23FN2O3 and a molecular weight of 394.45 g/mol. Its IUPAC name is [3-(4-fluorophenyl)-5-methylphenyl] N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]carbamate.

Molecular Properties

Compound Name[3-(4-fluorophenyl)-5-methylphenyl] N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]carbamate
PubChem CID138557914
Molecular FormulaC23H23FN2O3
Molecular Weight394.45 g/mol
Exact Mass394.17
IUPAC Name[3-(4-fluorophenyl)-5-methylphenyl] N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]carbamate
SMILESCOc1c(C)cnc(CNC(=O)Oc2cc(C)cc(-c3ccc(F)cc3)c2)c1C
InChIInChI=1S/C23H23FN2O3/c1-14-9-18(17-5-7-19(24)8-6-17)11-20(10-14)29-23(27)26-13-21-16(3)22(28-4)15(2)12-25-21/h5-12H,13H2,1-4H3,(H,26,27)
InChIKeyKHGFGMQRCSZESM-UHFFFAOYSA-N
XLogP5.11
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.45
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [3-(4-fluorophenyl)-5-methylphenyl] N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]carbamate with MolForge

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Related Compounds

[3-(2,6-dimethylmorpholin-4-yl)-5-methylphenyl] N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]carbamate
CID 138557842
1-(4-fluorophenyl)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]methanamine
CID 28581727
4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]butanamide
CID 47087997
1-(4-fluorophenyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanone
CID 62620937
1-[2-(4-fluorophenoxy)propyl]-3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methylguanidine;hydroiodide
CID 111677931
2,5-dimethoxy-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]benzamide
CID 49354460
2-chloro-4-fluoro-N-[3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylamino]-3-oxopropyl]benzamide
CID 49353575
4-fluoro-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methylaniline
CID 28584179
(2S)-2-(dimethylamino)-2-(3-fluorophenyl)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]acetamide
CID 97196249
1-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methylguanidine;hydroiodide
CID 111889566
2-(2,5-dimethyl-1H-indol-3-yl)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]acetamide
CID 49353824
(4-fluorophenyl)-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]carbamic acid
CID 138557800

Frequently Asked Questions

What is the IUPAC name of [3-(4-fluorophenyl)-5-methylphenyl] N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]carbamate?
The IUPAC name of [3-(4-fluorophenyl)-5-methylphenyl] N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]carbamate (CID 138557914) is [3-(4-fluorophenyl)-5-methylphenyl] N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]carbamate.
What is the SMILES notation for [3-(4-fluorophenyl)-5-methylphenyl] N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]carbamate?
The canonical SMILES for [3-(4-fluorophenyl)-5-methylphenyl] N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]carbamate is COc1c(C)cnc(CNC(=O)Oc2cc(C)cc(-c3ccc(F)cc3)c2)c1C.
What is the InChIKey of [3-(4-fluorophenyl)-5-methylphenyl] N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]carbamate?
The InChIKey is KHGFGMQRCSZESM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN2O3/c1-14-9-18(17-5-7-19(24)8-6-17)11-20(10-14)29-23(27)26-13-21-16(3)22(28-4)15(2)12-25-21/h5-12H,13H2,1-4H3,(H,26,27).
What are the key properties of [3-(4-fluorophenyl)-5-methylphenyl] N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]carbamate?
[3-(4-fluorophenyl)-5-methylphenyl] N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]carbamate has a molecular weight of 394.45 g/mol, XLogP of 5.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-fluorophenyl)-5-methylphenyl] N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]carbamate is sourced from PubChem (CID 138557914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).