(2S,3S)-N-[(2-methoxy-3-pyridinyl)methyl]-2-(1-methylpyrazol-4-yl)oxolane-3-carboxamide

C16H20N4O3 — CID 129005917

IUPAC(2S,3S)-N-[(2-methoxy-3-pyridinyl)methyl]-2-(1-methylpyrazol-4-yl)oxolane-3-carboxamide
SMILESCOc1ncccc1CNC(=O)[C@H]1CCO[C@@H]1c1cnn(C)c1
InChIInChI=1S/C16H20N4O3/c1-20-10-12(9-19-20)14-13(5-7-23-14)15(21)18-8-11-4-3-6-17-16(11)22-2/h3-4,6,9-10,13-14H,5,7-8H2,1-2H3,(H,18,21)/t13-,14+/m0/s1
InChIKeyLIFCPIVXBISYGJ-UONOGXRCSA-N
MW316.36 g/mol
LogP1.22
Rot. Bonds5

About (2S,3S)-N-[(2-methoxy-3-pyridinyl)methyl]-2-(1-methylpyrazol-4-yl)oxolane-3-carboxamide

(2S,3S)-N-[(2-methoxy-3-pyridinyl)methyl]-2-(1-methylpyrazol-4-yl)oxolane-3-carboxamide (PubChem CID 129005917) has the molecular formula C16H20N4O3 and a molecular weight of 316.36 g/mol. Its IUPAC name is (2S,3S)-N-[(2-methoxy-3-pyridinyl)methyl]-2-(1-methylpyrazol-4-yl)oxolane-3-carboxamide.

Molecular Properties

Compound Name(2S,3S)-N-[(2-methoxy-3-pyridinyl)methyl]-2-(1-methylpyrazol-4-yl)oxolane-3-carboxamide
PubChem CID129005917
Molecular FormulaC16H20N4O3
Molecular Weight316.36 g/mol
Exact Mass316.15
IUPAC Name(2S,3S)-N-[(2-methoxy-3-pyridinyl)methyl]-2-(1-methylpyrazol-4-yl)oxolane-3-carboxamide
SMILESCOc1ncccc1CNC(=O)[C@H]1CCO[C@@H]1c1cnn(C)c1
InChIInChI=1S/C16H20N4O3/c1-20-10-12(9-19-20)14-13(5-7-23-14)15(21)18-8-11-4-3-6-17-16(11)22-2/h3-4,6,9-10,13-14H,5,7-8H2,1-2H3,(H,18,21)/t13-,14+/m0/s1
InChIKeyLIFCPIVXBISYGJ-UONOGXRCSA-N
XLogP1.22
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S,3S)-N-[(2-methoxy-3-pyridinyl)methyl]-2-(1-methylpyrazol-4-yl)oxolane-3-carboxamide?
The IUPAC name of (2S,3S)-N-[(2-methoxy-3-pyridinyl)methyl]-2-(1-methylpyrazol-4-yl)oxolane-3-carboxamide (CID 129005917) is (2S,3S)-N-[(2-methoxy-3-pyridinyl)methyl]-2-(1-methylpyrazol-4-yl)oxolane-3-carboxamide.
What is the SMILES notation for (2S,3S)-N-[(2-methoxy-3-pyridinyl)methyl]-2-(1-methylpyrazol-4-yl)oxolane-3-carboxamide?
The canonical SMILES for (2S,3S)-N-[(2-methoxy-3-pyridinyl)methyl]-2-(1-methylpyrazol-4-yl)oxolane-3-carboxamide is COc1ncccc1CNC(=O)[C@H]1CCO[C@@H]1c1cnn(C)c1.
What is the InChIKey of (2S,3S)-N-[(2-methoxy-3-pyridinyl)methyl]-2-(1-methylpyrazol-4-yl)oxolane-3-carboxamide?
The InChIKey is LIFCPIVXBISYGJ-UONOGXRCSA-N. The full InChI is InChI=1S/C16H20N4O3/c1-20-10-12(9-19-20)14-13(5-7-23-14)15(21)18-8-11-4-3-6-17-16(11)22-2/h3-4,6,9-10,13-14H,5,7-8H2,1-2H3,(H,18,21)/t13-,14+/m0/s1.
What are the key properties of (2S,3S)-N-[(2-methoxy-3-pyridinyl)methyl]-2-(1-methylpyrazol-4-yl)oxolane-3-carboxamide?
(2S,3S)-N-[(2-methoxy-3-pyridinyl)methyl]-2-(1-methylpyrazol-4-yl)oxolane-3-carboxamide has a molecular weight of 316.36 g/mol, XLogP of 1.22, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-N-[(2-methoxy-3-pyridinyl)methyl]-2-(1-methylpyrazol-4-yl)oxolane-3-carboxamide is sourced from PubChem (CID 129005917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).