tert-butyl N-[2-acetamido-5-[5-(difluoromethoxymethyl)-2-pyridinyl]-4-pyridinyl]carbamate

C19H22F2N4O4 — CID 170730383

IUPACtert-butyl N-[2-acetamido-5-[5-(difluoromethoxymethyl)-2-pyridinyl]-4-pyridinyl]carbamate
SMILESCC(=O)Nc1cc(NC(=O)OC(C)(C)C)c(-c2ccc(COC(F)F)cn2)cn1
InChIInChI=1S/C19H22F2N4O4/c1-11(26)24-16-7-15(25-18(27)29-19(2,3)4)13(9-23-16)14-6-5-12(8-22-14)10-28-17(20)21/h5-9,17H,10H2,1-4H3,(H2,23,24,25,26,27)
InChIKeyGIWHVHUAVOICIV-UHFFFAOYSA-N
MW408.41 g/mol
LogP4.19
Rot. Bonds6

About tert-butyl N-[2-acetamido-5-[5-(difluoromethoxymethyl)-2-pyridinyl]-4-pyridinyl]carbamate

tert-butyl N-[2-acetamido-5-[5-(difluoromethoxymethyl)-2-pyridinyl]-4-pyridinyl]carbamate (PubChem CID 170730383) has the molecular formula C19H22F2N4O4 and a molecular weight of 408.41 g/mol. Its IUPAC name is tert-butyl N-[2-acetamido-5-[5-(difluoromethoxymethyl)-2-pyridinyl]-4-pyridinyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-acetamido-5-[5-(difluoromethoxymethyl)-2-pyridinyl]-4-pyridinyl]carbamate
PubChem CID170730383
Molecular FormulaC19H22F2N4O4
Molecular Weight408.41 g/mol
Exact Mass408.16
IUPAC Nametert-butyl N-[2-acetamido-5-[5-(difluoromethoxymethyl)-2-pyridinyl]-4-pyridinyl]carbamate
SMILESCC(=O)Nc1cc(NC(=O)OC(C)(C)C)c(-c2ccc(COC(F)F)cn2)cn1
InChIInChI=1S/C19H22F2N4O4/c1-11(26)24-16-7-15(25-18(27)29-19(2,3)4)13(9-23-16)14-6-5-12(8-22-14)10-28-17(20)21/h5-9,17H,10H2,1-4H3,(H2,23,24,25,26,27)
InChIKeyGIWHVHUAVOICIV-UHFFFAOYSA-N
XLogP4.19
TPSA102.44 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.41
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-acetamido-5-[5-(difluoromethoxymethyl)-2-pyridinyl]-4-pyridinyl]carbamate?
The IUPAC name of tert-butyl N-[2-acetamido-5-[5-(difluoromethoxymethyl)-2-pyridinyl]-4-pyridinyl]carbamate (CID 170730383) is tert-butyl N-[2-acetamido-5-[5-(difluoromethoxymethyl)-2-pyridinyl]-4-pyridinyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-acetamido-5-[5-(difluoromethoxymethyl)-2-pyridinyl]-4-pyridinyl]carbamate?
The canonical SMILES for tert-butyl N-[2-acetamido-5-[5-(difluoromethoxymethyl)-2-pyridinyl]-4-pyridinyl]carbamate is CC(=O)Nc1cc(NC(=O)OC(C)(C)C)c(-c2ccc(COC(F)F)cn2)cn1.
What is the InChIKey of tert-butyl N-[2-acetamido-5-[5-(difluoromethoxymethyl)-2-pyridinyl]-4-pyridinyl]carbamate?
The InChIKey is GIWHVHUAVOICIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F2N4O4/c1-11(26)24-16-7-15(25-18(27)29-19(2,3)4)13(9-23-16)14-6-5-12(8-22-14)10-28-17(20)21/h5-9,17H,10H2,1-4H3,(H2,23,24,25,26,27).
What are the key properties of tert-butyl N-[2-acetamido-5-[5-(difluoromethoxymethyl)-2-pyridinyl]-4-pyridinyl]carbamate?
tert-butyl N-[2-acetamido-5-[5-(difluoromethoxymethyl)-2-pyridinyl]-4-pyridinyl]carbamate has a molecular weight of 408.41 g/mol, XLogP of 4.19, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-acetamido-5-[5-(difluoromethoxymethyl)-2-pyridinyl]-4-pyridinyl]carbamate is sourced from PubChem (CID 170730383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).