(2S)-N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]-2-(tetrazol-1-yl)propanamide

C16H14F2N6O2 — CID 56749773

IUPAC(2S)-N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]-2-(tetrazol-1-yl)propanamide
SMILESC[C@@H](C(=O)NCc1cccnc1Oc1ccc(F)cc1F)n1cnnn1
InChIInChI=1S/C16H14F2N6O2/c1-10(24-9-21-22-23-24)15(25)20-8-11-3-2-6-19-16(11)26-14-5-4-12(17)7-13(14)18/h2-7,9-10H,8H2,1H3,(H,20,25)/t10-/m0/s1
InChIKeyZWYFLNZXDCWYLK-JTQLQIEISA-N
MW360.32 g/mol
LogP2.02
Rot. Bonds6

About (2S)-N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]-2-(tetrazol-1-yl)propanamide

(2S)-N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]-2-(tetrazol-1-yl)propanamide (PubChem CID 56749773) has the molecular formula C16H14F2N6O2 and a molecular weight of 360.32 g/mol. Its IUPAC name is (2S)-N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]-2-(tetrazol-1-yl)propanamide.

Molecular Properties

Compound Name(2S)-N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]-2-(tetrazol-1-yl)propanamide
PubChem CID56749773
Molecular FormulaC16H14F2N6O2
Molecular Weight360.32 g/mol
Exact Mass360.11
IUPAC Name(2S)-N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]-2-(tetrazol-1-yl)propanamide
SMILESC[C@@H](C(=O)NCc1cccnc1Oc1ccc(F)cc1F)n1cnnn1
InChIInChI=1S/C16H14F2N6O2/c1-10(24-9-21-22-23-24)15(25)20-8-11-3-2-6-19-16(11)26-14-5-4-12(17)7-13(14)18/h2-7,9-10H,8H2,1H3,(H,20,25)/t10-/m0/s1
InChIKeyZWYFLNZXDCWYLK-JTQLQIEISA-N
XLogP2.02
TPSA94.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.32
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]-2-(tetrazol-1-yl)propanamide?
The IUPAC name of (2S)-N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]-2-(tetrazol-1-yl)propanamide (CID 56749773) is (2S)-N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]-2-(tetrazol-1-yl)propanamide.
What is the SMILES notation for (2S)-N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]-2-(tetrazol-1-yl)propanamide?
The canonical SMILES for (2S)-N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]-2-(tetrazol-1-yl)propanamide is C[C@@H](C(=O)NCc1cccnc1Oc1ccc(F)cc1F)n1cnnn1.
What is the InChIKey of (2S)-N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]-2-(tetrazol-1-yl)propanamide?
The InChIKey is ZWYFLNZXDCWYLK-JTQLQIEISA-N. The full InChI is InChI=1S/C16H14F2N6O2/c1-10(24-9-21-22-23-24)15(25)20-8-11-3-2-6-19-16(11)26-14-5-4-12(17)7-13(14)18/h2-7,9-10H,8H2,1H3,(H,20,25)/t10-/m0/s1.
What are the key properties of (2S)-N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]-2-(tetrazol-1-yl)propanamide?
(2S)-N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]-2-(tetrazol-1-yl)propanamide has a molecular weight of 360.32 g/mol, XLogP of 2.02, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]-2-(tetrazol-1-yl)propanamide is sourced from PubChem (CID 56749773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).