methyl 2-(6-amino-2-pyridinyl)-2-[[(2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]propanoyl]amino]acetate

C19H20F2N4O4 — CID 22894865

IUPACmethyl 2-(6-amino-2-pyridinyl)-2-[[(2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]propanoyl]amino]acetate
SMILESCOC(=O)C(NC(=O)[C@H](C)NC(=O)Cc1cc(F)cc(F)c1)c1cccc(N)n1
InChIInChI=1S/C19H20F2N4O4/c1-10(23-16(26)8-11-6-12(20)9-13(21)7-11)18(27)25-17(19(28)29-2)14-4-3-5-15(22)24-14/h3-7,9-10,17H,8H2,1-2H3,(H2,22,24)(H,23,26)(H,25,27)/t10-,17?/m0/s1
InChIKeyQAMFZJSQKCKFLD-YOZOHBORSA-N
MW406.39 g/mol
LogP1.02
Rot. Bonds7

About methyl 2-(6-amino-2-pyridinyl)-2-[[(2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]propanoyl]amino]acetate

methyl 2-(6-amino-2-pyridinyl)-2-[[(2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]propanoyl]amino]acetate (PubChem CID 22894865) has the molecular formula C19H20F2N4O4 and a molecular weight of 406.39 g/mol. Its IUPAC name is methyl 2-(6-amino-2-pyridinyl)-2-[[(2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]propanoyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-(6-amino-2-pyridinyl)-2-[[(2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]propanoyl]amino]acetate
PubChem CID22894865
Molecular FormulaC19H20F2N4O4
Molecular Weight406.39 g/mol
Exact Mass406.15
IUPAC Namemethyl 2-(6-amino-2-pyridinyl)-2-[[(2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]propanoyl]amino]acetate
SMILESCOC(=O)C(NC(=O)[C@H](C)NC(=O)Cc1cc(F)cc(F)c1)c1cccc(N)n1
InChIInChI=1S/C19H20F2N4O4/c1-10(23-16(26)8-11-6-12(20)9-13(21)7-11)18(27)25-17(19(28)29-2)14-4-3-5-15(22)24-14/h3-7,9-10,17H,8H2,1-2H3,(H2,22,24)(H,23,26)(H,25,27)/t10-,17?/m0/s1
InChIKeyQAMFZJSQKCKFLD-YOZOHBORSA-N
XLogP1.02
TPSA123.41 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.39
LogP ≤ 51.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze methyl 2-(6-amino-2-pyridinyl)-2-[[(2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]propanoyl]amino]acetate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(6-amino-2-pyridinyl)-2-[[(2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]propanoyl]amino]acetate?
The IUPAC name of methyl 2-(6-amino-2-pyridinyl)-2-[[(2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]propanoyl]amino]acetate (CID 22894865) is methyl 2-(6-amino-2-pyridinyl)-2-[[(2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]propanoyl]amino]acetate.
What is the SMILES notation for methyl 2-(6-amino-2-pyridinyl)-2-[[(2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]propanoyl]amino]acetate?
The canonical SMILES for methyl 2-(6-amino-2-pyridinyl)-2-[[(2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]propanoyl]amino]acetate is COC(=O)C(NC(=O)[C@H](C)NC(=O)Cc1cc(F)cc(F)c1)c1cccc(N)n1.
What is the InChIKey of methyl 2-(6-amino-2-pyridinyl)-2-[[(2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]propanoyl]amino]acetate?
The InChIKey is QAMFZJSQKCKFLD-YOZOHBORSA-N. The full InChI is InChI=1S/C19H20F2N4O4/c1-10(23-16(26)8-11-6-12(20)9-13(21)7-11)18(27)25-17(19(28)29-2)14-4-3-5-15(22)24-14/h3-7,9-10,17H,8H2,1-2H3,(H2,22,24)(H,23,26)(H,25,27)/t10-,17?/m0/s1.
What are the key properties of methyl 2-(6-amino-2-pyridinyl)-2-[[(2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]propanoyl]amino]acetate?
methyl 2-(6-amino-2-pyridinyl)-2-[[(2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]propanoyl]amino]acetate has a molecular weight of 406.39 g/mol, XLogP of 1.02, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(6-amino-2-pyridinyl)-2-[[(2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]propanoyl]amino]acetate is sourced from PubChem (CID 22894865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).