[(2-amino-4-pyridinyl)-[2-fluoro-4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]methyl] acetate

C19H22FN3O4 — CID 59852855

IUPAC[(2-amino-4-pyridinyl)-[2-fluoro-4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]methyl] acetate
SMILESCC(=O)OC(c1ccnc(N)c1)c1ccc(NC(=O)OC(C)(C)C)cc1F
InChIInChI=1S/C19H22FN3O4/c1-11(24)26-17(12-7-8-22-16(21)9-12)14-6-5-13(10-15(14)20)23-18(25)27-19(2,3)4/h5-10,17H,1-4H3,(H2,21,22)(H,23,25)
InChIKeyWFTXZABSKBEZMR-UHFFFAOYSA-N
MW375.40 g/mol
LogP3.80
Rot. Bonds4

About [(2-amino-4-pyridinyl)-[2-fluoro-4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]methyl] acetate

[(2-amino-4-pyridinyl)-[2-fluoro-4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]methyl] acetate (PubChem CID 59852855) has the molecular formula C19H22FN3O4 and a molecular weight of 375.40 g/mol. Its IUPAC name is [(2-amino-4-pyridinyl)-[2-fluoro-4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]methyl] acetate.

Molecular Properties

Compound Name[(2-amino-4-pyridinyl)-[2-fluoro-4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]methyl] acetate
PubChem CID59852855
Molecular FormulaC19H22FN3O4
Molecular Weight375.40 g/mol
Exact Mass375.16
IUPAC Name[(2-amino-4-pyridinyl)-[2-fluoro-4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]methyl] acetate
SMILESCC(=O)OC(c1ccnc(N)c1)c1ccc(NC(=O)OC(C)(C)C)cc1F
InChIInChI=1S/C19H22FN3O4/c1-11(24)26-17(12-7-8-22-16(21)9-12)14-6-5-13(10-15(14)20)23-18(25)27-19(2,3)4/h5-10,17H,1-4H3,(H2,21,22)(H,23,25)
InChIKeyWFTXZABSKBEZMR-UHFFFAOYSA-N
XLogP3.80
TPSA103.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.40
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [(2-amino-4-pyridinyl)-[2-fluoro-4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]methyl] acetate?
The IUPAC name of [(2-amino-4-pyridinyl)-[2-fluoro-4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]methyl] acetate (CID 59852855) is [(2-amino-4-pyridinyl)-[2-fluoro-4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]methyl] acetate.
What is the SMILES notation for [(2-amino-4-pyridinyl)-[2-fluoro-4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]methyl] acetate?
The canonical SMILES for [(2-amino-4-pyridinyl)-[2-fluoro-4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]methyl] acetate is CC(=O)OC(c1ccnc(N)c1)c1ccc(NC(=O)OC(C)(C)C)cc1F.
What is the InChIKey of [(2-amino-4-pyridinyl)-[2-fluoro-4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]methyl] acetate?
The InChIKey is WFTXZABSKBEZMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O4/c1-11(24)26-17(12-7-8-22-16(21)9-12)14-6-5-13(10-15(14)20)23-18(25)27-19(2,3)4/h5-10,17H,1-4H3,(H2,21,22)(H,23,25).
What are the key properties of [(2-amino-4-pyridinyl)-[2-fluoro-4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]methyl] acetate?
[(2-amino-4-pyridinyl)-[2-fluoro-4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]methyl] acetate has a molecular weight of 375.40 g/mol, XLogP of 3.80, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2-amino-4-pyridinyl)-[2-fluoro-4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]methyl] acetate is sourced from PubChem (CID 59852855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).