(2S,3S)-N-(1-methyl-6-oxo-3-pyridinyl)-2-(1-phenylpyrazol-4-yl)oxolane-3-carboxamide

C20H20N4O3 — CID 128966167

IUPAC(2S,3S)-N-(1-methyl-6-oxo-3-pyridinyl)-2-(1-phenylpyrazol-4-yl)oxolane-3-carboxamide
SMILESCn1cc(NC(=O)[C@H]2CCO[C@@H]2c2cnn(-c3ccccc3)c2)ccc1=O
InChIInChI=1S/C20H20N4O3/c1-23-13-15(7-8-18(23)25)22-20(26)17-9-10-27-19(17)14-11-21-24(12-14)16-5-3-2-4-6-16/h2-8,11-13,17,19H,9-10H2,1H3,(H,22,26)/t17-,19+/m0/s1
InChIKeyHJMKHYSYVRRWGN-PKOBYXMFSA-N
MW364.41 g/mol
LogP2.29
Rot. Bonds4

About (2S,3S)-N-(1-methyl-6-oxo-3-pyridinyl)-2-(1-phenylpyrazol-4-yl)oxolane-3-carboxamide

(2S,3S)-N-(1-methyl-6-oxo-3-pyridinyl)-2-(1-phenylpyrazol-4-yl)oxolane-3-carboxamide (PubChem CID 128966167) has the molecular formula C20H20N4O3 and a molecular weight of 364.41 g/mol. Its IUPAC name is (2S,3S)-N-(1-methyl-6-oxo-3-pyridinyl)-2-(1-phenylpyrazol-4-yl)oxolane-3-carboxamide.

Molecular Properties

Compound Name(2S,3S)-N-(1-methyl-6-oxo-3-pyridinyl)-2-(1-phenylpyrazol-4-yl)oxolane-3-carboxamide
PubChem CID128966167
Molecular FormulaC20H20N4O3
Molecular Weight364.41 g/mol
Exact Mass364.15
IUPAC Name(2S,3S)-N-(1-methyl-6-oxo-3-pyridinyl)-2-(1-phenylpyrazol-4-yl)oxolane-3-carboxamide
SMILESCn1cc(NC(=O)[C@H]2CCO[C@@H]2c2cnn(-c3ccccc3)c2)ccc1=O
InChIInChI=1S/C20H20N4O3/c1-23-13-15(7-8-18(23)25)22-20(26)17-9-10-27-19(17)14-11-21-24(12-14)16-5-3-2-4-6-16/h2-8,11-13,17,19H,9-10H2,1H3,(H,22,26)/t17-,19+/m0/s1
InChIKeyHJMKHYSYVRRWGN-PKOBYXMFSA-N
XLogP2.29
TPSA78.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S,3S)-N-(1-methyl-6-oxo-3-pyridinyl)-2-(1-phenylpyrazol-4-yl)oxolane-3-carboxamide?
The IUPAC name of (2S,3S)-N-(1-methyl-6-oxo-3-pyridinyl)-2-(1-phenylpyrazol-4-yl)oxolane-3-carboxamide (CID 128966167) is (2S,3S)-N-(1-methyl-6-oxo-3-pyridinyl)-2-(1-phenylpyrazol-4-yl)oxolane-3-carboxamide.
What is the SMILES notation for (2S,3S)-N-(1-methyl-6-oxo-3-pyridinyl)-2-(1-phenylpyrazol-4-yl)oxolane-3-carboxamide?
The canonical SMILES for (2S,3S)-N-(1-methyl-6-oxo-3-pyridinyl)-2-(1-phenylpyrazol-4-yl)oxolane-3-carboxamide is Cn1cc(NC(=O)[C@H]2CCO[C@@H]2c2cnn(-c3ccccc3)c2)ccc1=O.
What is the InChIKey of (2S,3S)-N-(1-methyl-6-oxo-3-pyridinyl)-2-(1-phenylpyrazol-4-yl)oxolane-3-carboxamide?
The InChIKey is HJMKHYSYVRRWGN-PKOBYXMFSA-N. The full InChI is InChI=1S/C20H20N4O3/c1-23-13-15(7-8-18(23)25)22-20(26)17-9-10-27-19(17)14-11-21-24(12-14)16-5-3-2-4-6-16/h2-8,11-13,17,19H,9-10H2,1H3,(H,22,26)/t17-,19+/m0/s1.
What are the key properties of (2S,3S)-N-(1-methyl-6-oxo-3-pyridinyl)-2-(1-phenylpyrazol-4-yl)oxolane-3-carboxamide?
(2S,3S)-N-(1-methyl-6-oxo-3-pyridinyl)-2-(1-phenylpyrazol-4-yl)oxolane-3-carboxamide has a molecular weight of 364.41 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-N-(1-methyl-6-oxo-3-pyridinyl)-2-(1-phenylpyrazol-4-yl)oxolane-3-carboxamide is sourced from PubChem (CID 128966167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).