tert-butyl N-[4-[(2-acetamido-4-pyridinyl)methoxy]-2-fluorophenyl]carbamate

C19H22FN3O4 — CID 166647339

IUPACtert-butyl N-[4-[(2-acetamido-4-pyridinyl)methoxy]-2-fluorophenyl]carbamate
SMILESCC(=O)Nc1cc(COc2ccc(NC(=O)OC(C)(C)C)c(F)c2)ccn1
InChIInChI=1S/C19H22FN3O4/c1-12(24)22-17-9-13(7-8-21-17)11-26-14-5-6-16(15(20)10-14)23-18(25)27-19(2,3)4/h5-10H,11H2,1-4H3,(H,23,25)(H,21,22,24)
InChIKeyHAKDGGDABMMKRW-UHFFFAOYSA-N
MW375.40 g/mol
LogP4.11
Rot. Bonds5

About tert-butyl N-[4-[(2-acetamido-4-pyridinyl)methoxy]-2-fluorophenyl]carbamate

tert-butyl N-[4-[(2-acetamido-4-pyridinyl)methoxy]-2-fluorophenyl]carbamate (PubChem CID 166647339) has the molecular formula C19H22FN3O4 and a molecular weight of 375.40 g/mol. Its IUPAC name is tert-butyl N-[4-[(2-acetamido-4-pyridinyl)methoxy]-2-fluorophenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-[(2-acetamido-4-pyridinyl)methoxy]-2-fluorophenyl]carbamate
PubChem CID166647339
Molecular FormulaC19H22FN3O4
Molecular Weight375.40 g/mol
Exact Mass375.16
IUPAC Nametert-butyl N-[4-[(2-acetamido-4-pyridinyl)methoxy]-2-fluorophenyl]carbamate
SMILESCC(=O)Nc1cc(COc2ccc(NC(=O)OC(C)(C)C)c(F)c2)ccn1
InChIInChI=1S/C19H22FN3O4/c1-12(24)22-17-9-13(7-8-21-17)11-26-14-5-6-16(15(20)10-14)23-18(25)27-19(2,3)4/h5-10H,11H2,1-4H3,(H,23,25)(H,21,22,24)
InChIKeyHAKDGGDABMMKRW-UHFFFAOYSA-N
XLogP4.11
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.40
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[[4-[(5-tert-butyl-2-chlorophenyl)carbamoylamino]-3-fluorophenoxy]methyl]-2-pyridinyl]acetamide
CID 150342489
tert-butyl N-(2-hydroxy-4-phenylmethoxyphenyl)carbamate
CID 58020516
tert-butyl N-[4-(2-hydroxyethyl)-2-pyridinyl]carbamate;ethane
CID 142453798
tert-butyl N-[4-[2-(3,4-difluorophenyl)-2-oxoethyl]-2-pyridinyl]carbamate
CID 23080607
N-[4-(methoxymethyl)-2-pyridinyl]acetamide
CID 59578573
2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-pyridinyl]ethyl acetate
CID 139349598
N-[4-(aminooxymethyl)-2-pyridinyl]acetamide
CID 45119420
tert-butyl N-(2-ethanimidoyl-4-phenylmethoxyphenyl)carbamate;ethane
CID 143063494
methyl 3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-pyridinyl]propanoate
CID 22063539
tert-butyl N-(4-bromo-2-fluorophenyl)carbamate
CID 22736228
tert-butyl [2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-pyridinyl] carbonate
CID 118989818
[3-fluoro-4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]methanesulfinic acid
CID 174589000

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[(2-acetamido-4-pyridinyl)methoxy]-2-fluorophenyl]carbamate?
The IUPAC name of tert-butyl N-[4-[(2-acetamido-4-pyridinyl)methoxy]-2-fluorophenyl]carbamate (CID 166647339) is tert-butyl N-[4-[(2-acetamido-4-pyridinyl)methoxy]-2-fluorophenyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-[(2-acetamido-4-pyridinyl)methoxy]-2-fluorophenyl]carbamate?
The canonical SMILES for tert-butyl N-[4-[(2-acetamido-4-pyridinyl)methoxy]-2-fluorophenyl]carbamate is CC(=O)Nc1cc(COc2ccc(NC(=O)OC(C)(C)C)c(F)c2)ccn1.
What is the InChIKey of tert-butyl N-[4-[(2-acetamido-4-pyridinyl)methoxy]-2-fluorophenyl]carbamate?
The InChIKey is HAKDGGDABMMKRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O4/c1-12(24)22-17-9-13(7-8-21-17)11-26-14-5-6-16(15(20)10-14)23-18(25)27-19(2,3)4/h5-10H,11H2,1-4H3,(H,23,25)(H,21,22,24).
What are the key properties of tert-butyl N-[4-[(2-acetamido-4-pyridinyl)methoxy]-2-fluorophenyl]carbamate?
tert-butyl N-[4-[(2-acetamido-4-pyridinyl)methoxy]-2-fluorophenyl]carbamate has a molecular weight of 375.40 g/mol, XLogP of 4.11, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-[(2-acetamido-4-pyridinyl)methoxy]-2-fluorophenyl]carbamate is sourced from PubChem (CID 166647339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).