tert-butyl N-[2-[[4-[3-fluoro-5-(hydroxymethyl)-2-pyridinyl]benzoyl]amino]phenyl]carbamate

C24H24FN3O4 — CID 59248908

IUPACtert-butyl N-[2-[[4-[3-fluoro-5-(hydroxymethyl)-2-pyridinyl]benzoyl]amino]phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccccc1NC(=O)c1ccc(-c2ncc(CO)cc2F)cc1
InChIInChI=1S/C24H24FN3O4/c1-24(2,3)32-23(31)28-20-7-5-4-6-19(20)27-22(30)17-10-8-16(9-11-17)21-18(25)12-15(14-29)13-26-21/h4-13,29H,14H2,1-3H3,(H,27,30)(H,28,31)
InChIKeyZNLWSBPNNHXQNY-UHFFFAOYSA-N
MW437.47 g/mol
LogP4.98
Rot. Bonds5

About tert-butyl N-[2-[[4-[3-fluoro-5-(hydroxymethyl)-2-pyridinyl]benzoyl]amino]phenyl]carbamate

tert-butyl N-[2-[[4-[3-fluoro-5-(hydroxymethyl)-2-pyridinyl]benzoyl]amino]phenyl]carbamate (PubChem CID 59248908) has the molecular formula C24H24FN3O4 and a molecular weight of 437.47 g/mol. Its IUPAC name is tert-butyl N-[2-[[4-[3-fluoro-5-(hydroxymethyl)-2-pyridinyl]benzoyl]amino]phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[[4-[3-fluoro-5-(hydroxymethyl)-2-pyridinyl]benzoyl]amino]phenyl]carbamate
PubChem CID59248908
Molecular FormulaC24H24FN3O4
Molecular Weight437.47 g/mol
Exact Mass437.18
IUPAC Nametert-butyl N-[2-[[4-[3-fluoro-5-(hydroxymethyl)-2-pyridinyl]benzoyl]amino]phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccccc1NC(=O)c1ccc(-c2ncc(CO)cc2F)cc1
InChIInChI=1S/C24H24FN3O4/c1-24(2,3)32-23(31)28-20-7-5-4-6-19(20)27-22(30)17-10-8-16(9-11-17)21-18(25)12-15(14-29)13-26-21/h4-13,29H,14H2,1-3H3,(H,27,30)(H,28,31)
InChIKeyZNLWSBPNNHXQNY-UHFFFAOYSA-N
XLogP4.98
TPSA100.55 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.47
LogP ≤ 54.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[[4-[3-fluoro-5-(hydroxymethyl)-2-pyridinyl]benzoyl]amino]phenyl]carbamate?
The IUPAC name of tert-butyl N-[2-[[4-[3-fluoro-5-(hydroxymethyl)-2-pyridinyl]benzoyl]amino]phenyl]carbamate (CID 59248908) is tert-butyl N-[2-[[4-[3-fluoro-5-(hydroxymethyl)-2-pyridinyl]benzoyl]amino]phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[[4-[3-fluoro-5-(hydroxymethyl)-2-pyridinyl]benzoyl]amino]phenyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[[4-[3-fluoro-5-(hydroxymethyl)-2-pyridinyl]benzoyl]amino]phenyl]carbamate is CC(C)(C)OC(=O)Nc1ccccc1NC(=O)c1ccc(-c2ncc(CO)cc2F)cc1.
What is the InChIKey of tert-butyl N-[2-[[4-[3-fluoro-5-(hydroxymethyl)-2-pyridinyl]benzoyl]amino]phenyl]carbamate?
The InChIKey is ZNLWSBPNNHXQNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN3O4/c1-24(2,3)32-23(31)28-20-7-5-4-6-19(20)27-22(30)17-10-8-16(9-11-17)21-18(25)12-15(14-29)13-26-21/h4-13,29H,14H2,1-3H3,(H,27,30)(H,28,31).
What are the key properties of tert-butyl N-[2-[[4-[3-fluoro-5-(hydroxymethyl)-2-pyridinyl]benzoyl]amino]phenyl]carbamate?
tert-butyl N-[2-[[4-[3-fluoro-5-(hydroxymethyl)-2-pyridinyl]benzoyl]amino]phenyl]carbamate has a molecular weight of 437.47 g/mol, XLogP of 4.98, 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-[[4-[3-fluoro-5-(hydroxymethyl)-2-pyridinyl]benzoyl]amino]phenyl]carbamate is sourced from PubChem (CID 59248908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).