2-oxo-N-[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]-1H-pyridine-3-carboxamide

C16H20N4O3 — CID 128972251

IUPAC2-oxo-N-[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]-1H-pyridine-3-carboxamide
SMILESCc1nn(C)c(C)c1[C@H]1OCC[C@@H]1NC(=O)c1ccc[nH]c1=O
InChIInChI=1S/C16H20N4O3/c1-9-13(10(2)20(3)19-9)14-12(6-8-23-14)18-16(22)11-5-4-7-17-15(11)21/h4-5,7,12,14H,6,8H2,1-3H3,(H,17,21)(H,18,22)/t12-,14-/m0/s1
InChIKeyNAXOEJIHGQOFBC-JSGCOSHPSA-N
MW316.36 g/mol
LogP0.99
Rot. Bonds3

About 2-oxo-N-[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]-1H-pyridine-3-carboxamide

2-oxo-N-[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]-1H-pyridine-3-carboxamide (PubChem CID 128972251) has the molecular formula C16H20N4O3 and a molecular weight of 316.36 g/mol. Its IUPAC name is 2-oxo-N-[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name2-oxo-N-[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]-1H-pyridine-3-carboxamide
PubChem CID128972251
Molecular FormulaC16H20N4O3
Molecular Weight316.36 g/mol
Exact Mass316.15
IUPAC Name2-oxo-N-[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]-1H-pyridine-3-carboxamide
SMILESCc1nn(C)c(C)c1[C@H]1OCC[C@@H]1NC(=O)c1ccc[nH]c1=O
InChIInChI=1S/C16H20N4O3/c1-9-13(10(2)20(3)19-9)14-12(6-8-23-14)18-16(22)11-5-4-7-17-15(11)21/h4-5,7,12,14H,6,8H2,1-3H3,(H,17,21)(H,18,22)/t12-,14-/m0/s1
InChIKeyNAXOEJIHGQOFBC-JSGCOSHPSA-N
XLogP0.99
TPSA89.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]-1H-pyridine-3-carboxamide?
The IUPAC name of 2-oxo-N-[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]-1H-pyridine-3-carboxamide (CID 128972251) is 2-oxo-N-[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]-1H-pyridine-3-carboxamide.
What is the SMILES notation for 2-oxo-N-[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]-1H-pyridine-3-carboxamide?
The canonical SMILES for 2-oxo-N-[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]-1H-pyridine-3-carboxamide is Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1NC(=O)c1ccc[nH]c1=O.
What is the InChIKey of 2-oxo-N-[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]-1H-pyridine-3-carboxamide?
The InChIKey is NAXOEJIHGQOFBC-JSGCOSHPSA-N. The full InChI is InChI=1S/C16H20N4O3/c1-9-13(10(2)20(3)19-9)14-12(6-8-23-14)18-16(22)11-5-4-7-17-15(11)21/h4-5,7,12,14H,6,8H2,1-3H3,(H,17,21)(H,18,22)/t12-,14-/m0/s1.
What are the key properties of 2-oxo-N-[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]-1H-pyridine-3-carboxamide?
2-oxo-N-[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]-1H-pyridine-3-carboxamide has a molecular weight of 316.36 g/mol, XLogP of 0.99, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]-1H-pyridine-3-carboxamide is sourced from PubChem (CID 128972251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).