2-(5-amino-6-oxo-2-pyridin-3-ylpyrimidin-1-yl)-N-[(2S)-1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-3-methyl-1-oxobutan-2-yl]acetamide

C22H27N7O4 — CID 10138974

IUPAC2-(5-amino-6-oxo-2-pyridin-3-ylpyrimidin-1-yl)-N-[(2S)-1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-3-methyl-1-oxobutan-2-yl]acetamide
SMILESCC(C)[C@H](NC(=O)Cn1c(-c2cccnc2)ncc(N)c1=O)C(=O)c1nnc(C(C)(C)C)o1
InChIInChI=1S/C22H27N7O4/c1-12(2)16(17(31)19-27-28-21(33-19)22(3,4)5)26-15(30)11-29-18(13-7-6-8-24-9-13)25-10-14(23)20(29)32/h6-10,12,16H,11,23H2,1-5H3,(H,26,30)/t16-/m0/s1
InChIKeyLFNDZAHAHBKVLC-INIZCTEOSA-N
MW453.50 g/mol
LogP1.59
Rot. Bonds7

About 2-(5-amino-6-oxo-2-pyridin-3-ylpyrimidin-1-yl)-N-[(2S)-1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-3-methyl-1-oxobutan-2-yl]acetamide

2-(5-amino-6-oxo-2-pyridin-3-ylpyrimidin-1-yl)-N-[(2S)-1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-3-methyl-1-oxobutan-2-yl]acetamide (PubChem CID 10138974) has the molecular formula C22H27N7O4 and a molecular weight of 453.50 g/mol. Its IUPAC name is 2-(5-amino-6-oxo-2-pyridin-3-ylpyrimidin-1-yl)-N-[(2S)-1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-3-methyl-1-oxobutan-2-yl]acetamide.

Molecular Properties

Compound Name2-(5-amino-6-oxo-2-pyridin-3-ylpyrimidin-1-yl)-N-[(2S)-1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-3-methyl-1-oxobutan-2-yl]acetamide
PubChem CID10138974
Molecular FormulaC22H27N7O4
Molecular Weight453.50 g/mol
Exact Mass453.21
IUPAC Name2-(5-amino-6-oxo-2-pyridin-3-ylpyrimidin-1-yl)-N-[(2S)-1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-3-methyl-1-oxobutan-2-yl]acetamide
SMILESCC(C)[C@H](NC(=O)Cn1c(-c2cccnc2)ncc(N)c1=O)C(=O)c1nnc(C(C)(C)C)o1
InChIInChI=1S/C22H27N7O4/c1-12(2)16(17(31)19-27-28-21(33-19)22(3,4)5)26-15(30)11-29-18(13-7-6-8-24-9-13)25-10-14(23)20(29)32/h6-10,12,16H,11,23H2,1-5H3,(H,26,30)/t16-/m0/s1
InChIKeyLFNDZAHAHBKVLC-INIZCTEOSA-N
XLogP1.59
TPSA158.89 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.50
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 2-(5-amino-6-oxo-2-pyridin-3-ylpyrimidin-1-yl)-N-[(2S)-1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-3-methyl-1-oxobutan-2-yl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-6-oxo-2-pyridin-3-ylpyrimidin-1-yl)-N-[(2S)-1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-3-methyl-1-oxobutan-2-yl]acetamide?
The IUPAC name of 2-(5-amino-6-oxo-2-pyridin-3-ylpyrimidin-1-yl)-N-[(2S)-1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-3-methyl-1-oxobutan-2-yl]acetamide (CID 10138974) is 2-(5-amino-6-oxo-2-pyridin-3-ylpyrimidin-1-yl)-N-[(2S)-1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-3-methyl-1-oxobutan-2-yl]acetamide.
What is the SMILES notation for 2-(5-amino-6-oxo-2-pyridin-3-ylpyrimidin-1-yl)-N-[(2S)-1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-3-methyl-1-oxobutan-2-yl]acetamide?
The canonical SMILES for 2-(5-amino-6-oxo-2-pyridin-3-ylpyrimidin-1-yl)-N-[(2S)-1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-3-methyl-1-oxobutan-2-yl]acetamide is CC(C)[C@H](NC(=O)Cn1c(-c2cccnc2)ncc(N)c1=O)C(=O)c1nnc(C(C)(C)C)o1.
What is the InChIKey of 2-(5-amino-6-oxo-2-pyridin-3-ylpyrimidin-1-yl)-N-[(2S)-1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-3-methyl-1-oxobutan-2-yl]acetamide?
The InChIKey is LFNDZAHAHBKVLC-INIZCTEOSA-N. The full InChI is InChI=1S/C22H27N7O4/c1-12(2)16(17(31)19-27-28-21(33-19)22(3,4)5)26-15(30)11-29-18(13-7-6-8-24-9-13)25-10-14(23)20(29)32/h6-10,12,16H,11,23H2,1-5H3,(H,26,30)/t16-/m0/s1.
What are the key properties of 2-(5-amino-6-oxo-2-pyridin-3-ylpyrimidin-1-yl)-N-[(2S)-1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-3-methyl-1-oxobutan-2-yl]acetamide?
2-(5-amino-6-oxo-2-pyridin-3-ylpyrimidin-1-yl)-N-[(2S)-1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-3-methyl-1-oxobutan-2-yl]acetamide has a molecular weight of 453.50 g/mol, XLogP of 1.59, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-6-oxo-2-pyridin-3-ylpyrimidin-1-yl)-N-[(2S)-1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-3-methyl-1-oxobutan-2-yl]acetamide is sourced from PubChem (CID 10138974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).