1,5,6-trimethyl-2-oxo-N-[[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]pyridine-3-carboxamide

C16H20N4O4 — CID 126443305

IUPAC1,5,6-trimethyl-2-oxo-N-[[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]pyridine-3-carboxamide
SMILESCc1cc(C(=O)NCc2noc([C@@H]3CCCO3)n2)c(=O)n(C)c1C
InChIInChI=1S/C16H20N4O4/c1-9-7-11(16(22)20(3)10(9)2)14(21)17-8-13-18-15(24-19-13)12-5-4-6-23-12/h7,12H,4-6,8H2,1-3H3,(H,17,21)/t12-/m0/s1
InChIKeyJJOCGZFGIKPDSM-LBPRGKRZSA-N
MW332.36 g/mol
LogP1.17
Rot. Bonds4

About 1,5,6-trimethyl-2-oxo-N-[[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]pyridine-3-carboxamide

1,5,6-trimethyl-2-oxo-N-[[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]pyridine-3-carboxamide (PubChem CID 126443305) has the molecular formula C16H20N4O4 and a molecular weight of 332.36 g/mol. Its IUPAC name is 1,5,6-trimethyl-2-oxo-N-[[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name1,5,6-trimethyl-2-oxo-N-[[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]pyridine-3-carboxamide
PubChem CID126443305
Molecular FormulaC16H20N4O4
Molecular Weight332.36 g/mol
Exact Mass332.15
IUPAC Name1,5,6-trimethyl-2-oxo-N-[[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]pyridine-3-carboxamide
SMILESCc1cc(C(=O)NCc2noc([C@@H]3CCCO3)n2)c(=O)n(C)c1C
InChIInChI=1S/C16H20N4O4/c1-9-7-11(16(22)20(3)10(9)2)14(21)17-8-13-18-15(24-19-13)12-5-4-6-23-12/h7,12H,4-6,8H2,1-3H3,(H,17,21)/t12-/m0/s1
InChIKeyJJOCGZFGIKPDSM-LBPRGKRZSA-N
XLogP1.17
TPSA99.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-methyl-N-[[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]imidazo[2,1-e]pyrazole-7-carboxamide
CID 125178826
1-methyl-N-[[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 125156952
5-methyl-4-oxo-N-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
CID 154570551
7-fluoro-2-methyl-N-[[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]quinoline-4-carboxamide
CID 96571082
N-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-2-(1,2,4-triazol-4-yl)benzamide
CID 121494507
N-[[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
CID 95729991
5-ethyl-N-[[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]-1,3-oxazole-4-carboxamide
CID 125172135
3,5-difluoro-N-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]pyridine-2-carboxamide
CID 118786622
3,6-dimethyl-N-[[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]-1-benzofuran-2-carboxamide
CID 97121047
3-hydroxy-N-[[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]pyridine-2-carboxamide
CID 125437836
2-methyl-N-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-1-benzothiophene-3-carboxamide
CID 155502417
3-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)-N-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]propanamide
CID 135099312

Frequently Asked Questions

What is the IUPAC name of 1,5,6-trimethyl-2-oxo-N-[[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]pyridine-3-carboxamide?
The IUPAC name of 1,5,6-trimethyl-2-oxo-N-[[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]pyridine-3-carboxamide (CID 126443305) is 1,5,6-trimethyl-2-oxo-N-[[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for 1,5,6-trimethyl-2-oxo-N-[[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]pyridine-3-carboxamide?
The canonical SMILES for 1,5,6-trimethyl-2-oxo-N-[[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]pyridine-3-carboxamide is Cc1cc(C(=O)NCc2noc([C@@H]3CCCO3)n2)c(=O)n(C)c1C.
What is the InChIKey of 1,5,6-trimethyl-2-oxo-N-[[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]pyridine-3-carboxamide?
The InChIKey is JJOCGZFGIKPDSM-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H20N4O4/c1-9-7-11(16(22)20(3)10(9)2)14(21)17-8-13-18-15(24-19-13)12-5-4-6-23-12/h7,12H,4-6,8H2,1-3H3,(H,17,21)/t12-/m0/s1.
What are the key properties of 1,5,6-trimethyl-2-oxo-N-[[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]pyridine-3-carboxamide?
1,5,6-trimethyl-2-oxo-N-[[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]pyridine-3-carboxamide has a molecular weight of 332.36 g/mol, XLogP of 1.17, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5,6-trimethyl-2-oxo-N-[[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 126443305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).