tert-butyl N-[2-[6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)-5-methyl-2-pyridinyl]-2-hydroxypropyl]carbamate

C23H31FN2O4 — CID 166807740

IUPACtert-butyl N-[2-[6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)-5-methyl-2-pyridinyl]-2-hydroxypropyl]carbamate
SMILESCc1c(C(C)(C)O)cc(C(C)(O)CNC(=O)OC(C)(C)C)nc1-c1ccc(F)cc1
InChIInChI=1S/C23H31FN2O4/c1-14-17(22(5,6)28)12-18(26-19(14)15-8-10-16(24)11-9-15)23(7,29)13-25-20(27)30-21(2,3)4/h8-12,28-29H,13H2,1-7H3,(H,25,27)
InChIKeyIRCDUHHMBCDHNQ-UHFFFAOYSA-N
MW418.51 g/mol
LogP4.16
Rot. Bonds5

About tert-butyl N-[2-[6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)-5-methyl-2-pyridinyl]-2-hydroxypropyl]carbamate

tert-butyl N-[2-[6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)-5-methyl-2-pyridinyl]-2-hydroxypropyl]carbamate (PubChem CID 166807740) has the molecular formula C23H31FN2O4 and a molecular weight of 418.51 g/mol. Its IUPAC name is tert-butyl N-[2-[6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)-5-methyl-2-pyridinyl]-2-hydroxypropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)-5-methyl-2-pyridinyl]-2-hydroxypropyl]carbamate
PubChem CID166807740
Molecular FormulaC23H31FN2O4
Molecular Weight418.51 g/mol
Exact Mass418.23
IUPAC Nametert-butyl N-[2-[6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)-5-methyl-2-pyridinyl]-2-hydroxypropyl]carbamate
SMILESCc1c(C(C)(C)O)cc(C(C)(O)CNC(=O)OC(C)(C)C)nc1-c1ccc(F)cc1
InChIInChI=1S/C23H31FN2O4/c1-14-17(22(5,6)28)12-18(26-19(14)15-8-10-16(24)11-9-15)23(7,29)13-25-20(27)30-21(2,3)4/h8-12,28-29H,13H2,1-7H3,(H,25,27)
InChIKeyIRCDUHHMBCDHNQ-UHFFFAOYSA-N
XLogP4.16
TPSA91.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.51
LogP ≤ 54.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-[2-[6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)-5-methyl-2-pyridinyl]-2-hydroxypropyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-[2-[4-[2-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-5-fluoro-6-(4-fluorophenyl)-2-pyridinyl]-2-cyclopropyl-2-hydroxyethyl]carbamate
CID 174075842
(3R)-7-(4-fluorophenyl)-3-methyl-5-[(2S)-1,1,1-trifluoro-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]-2H-furo[2,3-c]pyridine-3-carboxylic acid
CID 156872655
1,1,1-trifluoro-2-[5-fluoro-6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)-2-pyridinyl]propan-2-ol
CID 170611762
N-[3,3-difluoro-2-[5-fluoro-6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-hydroxybutyl]-8-methoxy-3-methylcinnoline-6-carboxamide
CID 166807720
ethyl N-[2-(4-fluorophenyl)-2-hydroxypropyl]carbamate
CID 110291402
tert-butyl N-[2-(3,4-dichlorophenyl)-2-hydroxypropyl]carbamate
CID 57032280
tert-butyl N-[(E)-3-(4-fluorophenyl)prop-2-enyl]carbamate
CID 102440441
tert-butyl N-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]carbamate
CID 171336753
tert-butyl N-[(4-fluoro-2-methylphenyl)methyl]carbamate
CID 59483479
tert-butyl N-[2-[[2-(4-fluorophenyl)acetyl]amino]ethyl]carbamate
CID 71089085
2-[6-(2-amino-1-cyclopropyl-2,2-dideuterio-1-hydroxyethyl)-3-fluoro-2-(4-fluorophenyl)-4-pyridinyl]propan-2-ol
CID 166519722
tert-butyl N-[2-[[5-(4-fluorophenyl)-1,3-oxazole-4-carbonyl]amino]ethyl]carbamate
CID 54185529

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)-5-methyl-2-pyridinyl]-2-hydroxypropyl]carbamate?
The IUPAC name of tert-butyl N-[2-[6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)-5-methyl-2-pyridinyl]-2-hydroxypropyl]carbamate (CID 166807740) is tert-butyl N-[2-[6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)-5-methyl-2-pyridinyl]-2-hydroxypropyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)-5-methyl-2-pyridinyl]-2-hydroxypropyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)-5-methyl-2-pyridinyl]-2-hydroxypropyl]carbamate is Cc1c(C(C)(C)O)cc(C(C)(O)CNC(=O)OC(C)(C)C)nc1-c1ccc(F)cc1.
What is the InChIKey of tert-butyl N-[2-[6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)-5-methyl-2-pyridinyl]-2-hydroxypropyl]carbamate?
The InChIKey is IRCDUHHMBCDHNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31FN2O4/c1-14-17(22(5,6)28)12-18(26-19(14)15-8-10-16(24)11-9-15)23(7,29)13-25-20(27)30-21(2,3)4/h8-12,28-29H,13H2,1-7H3,(H,25,27).
What are the key properties of tert-butyl N-[2-[6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)-5-methyl-2-pyridinyl]-2-hydroxypropyl]carbamate?
tert-butyl N-[2-[6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)-5-methyl-2-pyridinyl]-2-hydroxypropyl]carbamate has a molecular weight of 418.51 g/mol, XLogP of 4.16, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)-5-methyl-2-pyridinyl]-2-hydroxypropyl]carbamate is sourced from PubChem (CID 166807740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).