(2S,3S)-N-(3-methyl-4-pyridinyl)-2-(1,3,5-trimethylpyrazol-4-yl)oxolane-3-carboxamide

C17H22N4O2 — CID 128995869

IUPAC(2S,3S)-N-(3-methyl-4-pyridinyl)-2-(1,3,5-trimethylpyrazol-4-yl)oxolane-3-carboxamide
SMILESCc1cnccc1NC(=O)[C@H]1CCO[C@@H]1c1c(C)nn(C)c1C
InChIInChI=1S/C17H22N4O2/c1-10-9-18-7-5-14(10)19-17(22)13-6-8-23-16(13)15-11(2)20-21(4)12(15)3/h5,7,9,13,16H,6,8H2,1-4H3,(H,18,19,22)/t13-,16-/m0/s1
InChIKeyUPUUIBMOFCEWRR-BBRMVZONSA-N
MW314.39 g/mol
LogP2.46
Rot. Bonds3

About (2S,3S)-N-(3-methyl-4-pyridinyl)-2-(1,3,5-trimethylpyrazol-4-yl)oxolane-3-carboxamide

(2S,3S)-N-(3-methyl-4-pyridinyl)-2-(1,3,5-trimethylpyrazol-4-yl)oxolane-3-carboxamide (PubChem CID 128995869) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is (2S,3S)-N-(3-methyl-4-pyridinyl)-2-(1,3,5-trimethylpyrazol-4-yl)oxolane-3-carboxamide.

Molecular Properties

Compound Name(2S,3S)-N-(3-methyl-4-pyridinyl)-2-(1,3,5-trimethylpyrazol-4-yl)oxolane-3-carboxamide
PubChem CID128995869
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name(2S,3S)-N-(3-methyl-4-pyridinyl)-2-(1,3,5-trimethylpyrazol-4-yl)oxolane-3-carboxamide
SMILESCc1cnccc1NC(=O)[C@H]1CCO[C@@H]1c1c(C)nn(C)c1C
InChIInChI=1S/C17H22N4O2/c1-10-9-18-7-5-14(10)19-17(22)13-6-8-23-16(13)15-11(2)20-21(4)12(15)3/h5,7,9,13,16H,6,8H2,1-4H3,(H,18,19,22)/t13-,16-/m0/s1
InChIKeyUPUUIBMOFCEWRR-BBRMVZONSA-N
XLogP2.46
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S,3S)-N-(3-methyl-4-pyridinyl)-2-(1,3,5-trimethylpyrazol-4-yl)oxolane-3-carboxamide?
The IUPAC name of (2S,3S)-N-(3-methyl-4-pyridinyl)-2-(1,3,5-trimethylpyrazol-4-yl)oxolane-3-carboxamide (CID 128995869) is (2S,3S)-N-(3-methyl-4-pyridinyl)-2-(1,3,5-trimethylpyrazol-4-yl)oxolane-3-carboxamide.
What is the SMILES notation for (2S,3S)-N-(3-methyl-4-pyridinyl)-2-(1,3,5-trimethylpyrazol-4-yl)oxolane-3-carboxamide?
The canonical SMILES for (2S,3S)-N-(3-methyl-4-pyridinyl)-2-(1,3,5-trimethylpyrazol-4-yl)oxolane-3-carboxamide is Cc1cnccc1NC(=O)[C@H]1CCO[C@@H]1c1c(C)nn(C)c1C.
What is the InChIKey of (2S,3S)-N-(3-methyl-4-pyridinyl)-2-(1,3,5-trimethylpyrazol-4-yl)oxolane-3-carboxamide?
The InChIKey is UPUUIBMOFCEWRR-BBRMVZONSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-10-9-18-7-5-14(10)19-17(22)13-6-8-23-16(13)15-11(2)20-21(4)12(15)3/h5,7,9,13,16H,6,8H2,1-4H3,(H,18,19,22)/t13-,16-/m0/s1.
What are the key properties of (2S,3S)-N-(3-methyl-4-pyridinyl)-2-(1,3,5-trimethylpyrazol-4-yl)oxolane-3-carboxamide?
(2S,3S)-N-(3-methyl-4-pyridinyl)-2-(1,3,5-trimethylpyrazol-4-yl)oxolane-3-carboxamide has a molecular weight of 314.39 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-N-(3-methyl-4-pyridinyl)-2-(1,3,5-trimethylpyrazol-4-yl)oxolane-3-carboxamide is sourced from PubChem (CID 128995869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).