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

C20H25FN2O3 — CID 138578476

IUPACtert-butyl N-(3-fluorophenyl)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]carbamate
SMILESCOc1c(C)cnc(CN(C(=O)OC(C)(C)C)c2cccc(F)c2)c1C
InChIInChI=1S/C20H25FN2O3/c1-13-11-22-17(14(2)18(13)25-6)12-23(19(24)26-20(3,4)5)16-9-7-8-15(21)10-16/h7-11H,12H2,1-6H3
InChIKeyNCQOASGYLWCNMC-UHFFFAOYSA-N
MW360.43 g/mol
LogP4.79
Rot. Bonds4

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

tert-butyl N-(3-fluorophenyl)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]carbamate (PubChem CID 138578476) has the molecular formula C20H25FN2O3 and a molecular weight of 360.43 g/mol. Its IUPAC name is tert-butyl N-(3-fluorophenyl)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-(3-fluorophenyl)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]carbamate
PubChem CID138578476
Molecular FormulaC20H25FN2O3
Molecular Weight360.43 g/mol
Exact Mass360.18
IUPAC Nametert-butyl N-(3-fluorophenyl)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]carbamate
SMILESCOc1c(C)cnc(CN(C(=O)OC(C)(C)C)c2cccc(F)c2)c1C
InChIInChI=1S/C20H25FN2O3/c1-13-11-22-17(14(2)18(13)25-6)12-23(19(24)26-20(3,4)5)16-9-7-8-15(21)10-16/h7-11H,12H2,1-6H3
InChIKeyNCQOASGYLWCNMC-UHFFFAOYSA-N
XLogP4.79
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.43
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[4-fluoro-3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]phenyl]benzoate
CID 138557886
(4-fluorophenyl)-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]carbamic acid
CID 138557800
tert-butyl N-[3-(2-chloro-3-methyl-4-pyridinyl)-5-methylphenyl]-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]carbamate;carbon dioxide
CID 158043331
tert-butyl N-[3-(1H-indol-6-yl)-5-methylphenyl]-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]carbamate;ethane
CID 145387455
2-[5-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]thiophen-3-yl]benzoic acid
CID 175412012
tert-butyl N-[3-chloro-5-[2-tri(propan-2-yl)silylethynyl]phenyl]-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]carbamate
CID 138984300
4-(2-methoxycarbonylphenyl)-6-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]indole-1-carboxylic acid
CID 138557784
1-(3-fluorophenyl)-3-(4-methoxy-3,5-dimethyl-2-pyridinyl)propan-2-one
CID 62621914
(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl-naphthalen-2-ylcarbamic acid
CID 138557708
(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl-quinolin-5-ylcarbamic acid
CID 138557915
(5S)-3-(3-fluorophenyl)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methyl-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 52534801
(2S)-2-(dimethylamino)-2-(3-fluorophenyl)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]acetamide
CID 97196249

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(3-fluorophenyl)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]carbamate?
The IUPAC name of tert-butyl N-(3-fluorophenyl)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]carbamate (CID 138578476) is tert-butyl N-(3-fluorophenyl)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]carbamate.
What is the SMILES notation for tert-butyl N-(3-fluorophenyl)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]carbamate?
The canonical SMILES for tert-butyl N-(3-fluorophenyl)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]carbamate is COc1c(C)cnc(CN(C(=O)OC(C)(C)C)c2cccc(F)c2)c1C.
What is the InChIKey of tert-butyl N-(3-fluorophenyl)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]carbamate?
The InChIKey is NCQOASGYLWCNMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN2O3/c1-13-11-22-17(14(2)18(13)25-6)12-23(19(24)26-20(3,4)5)16-9-7-8-15(21)10-16/h7-11H,12H2,1-6H3.
What are the key properties of tert-butyl N-(3-fluorophenyl)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]carbamate?
tert-butyl N-(3-fluorophenyl)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]carbamate has a molecular weight of 360.43 g/mol, XLogP of 4.79, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(3-fluorophenyl)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]carbamate is sourced from PubChem (CID 138578476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).