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

C16H20N4O3 — CID 128973421

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC(2S,3S)-N-(6-methoxy-2-methyl-3-pyridinyl)-2-(1-methylpyrazol-4-yl)oxolane-3-carboxamide
SMILESCOc1ccc(NC(=O)[C@H]2CCO[C@@H]2c2cnn(C)c2)c(C)n1
InChIInChI=1S/C16H20N4O3/c1-10-13(4-5-14(18-10)22-3)19-16(21)12-6-7-23-15(12)11-8-17-20(2)9-11/h4-5,8-9,12,15H,6-7H2,1-3H3,(H,19,21)/t12-,15+/m0/s1
InChIKeyAWUKRJUOXGNFIB-SWLSCSKDSA-N
MW316.36 g/mol
LogP1.85
Rot. Bonds4

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

(2S,3S)-N-(6-methoxy-2-methyl-3-pyridinyl)-2-(1-methylpyrazol-4-yl)oxolane-3-carboxamide (PubChem CID 128973421) has the molecular formula C16H20N4O3 and a molecular weight of 316.36 g/mol. Its IUPAC name is (2S,3S)-N-(6-methoxy-2-methyl-3-pyridinyl)-2-(1-methylpyrazol-4-yl)oxolane-3-carboxamide.

Molecular Properties

Compound Name(2S,3S)-N-(6-methoxy-2-methyl-3-pyridinyl)-2-(1-methylpyrazol-4-yl)oxolane-3-carboxamide
PubChem CID128973421
Molecular FormulaC16H20N4O3
Molecular Weight316.36 g/mol
Exact Mass316.15
IUPAC Name(2S,3S)-N-(6-methoxy-2-methyl-3-pyridinyl)-2-(1-methylpyrazol-4-yl)oxolane-3-carboxamide
SMILESCOc1ccc(NC(=O)[C@H]2CCO[C@@H]2c2cnn(C)c2)c(C)n1
InChIInChI=1S/C16H20N4O3/c1-10-13(4-5-14(18-10)22-3)19-16(21)12-6-7-23-15(12)11-8-17-20(2)9-11/h4-5,8-9,12,15H,6-7H2,1-3H3,(H,19,21)/t12-,15+/m0/s1
InChIKeyAWUKRJUOXGNFIB-SWLSCSKDSA-N
XLogP1.85
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S,3S)-N-(6-methoxy-2-methyl-3-pyridinyl)-2-(1-methylpyrazol-4-yl)oxolane-3-carboxamide?
The IUPAC name of (2S,3S)-N-(6-methoxy-2-methyl-3-pyridinyl)-2-(1-methylpyrazol-4-yl)oxolane-3-carboxamide (CID 128973421) is (2S,3S)-N-(6-methoxy-2-methyl-3-pyridinyl)-2-(1-methylpyrazol-4-yl)oxolane-3-carboxamide.
What is the SMILES notation for (2S,3S)-N-(6-methoxy-2-methyl-3-pyridinyl)-2-(1-methylpyrazol-4-yl)oxolane-3-carboxamide?
The canonical SMILES for (2S,3S)-N-(6-methoxy-2-methyl-3-pyridinyl)-2-(1-methylpyrazol-4-yl)oxolane-3-carboxamide is COc1ccc(NC(=O)[C@H]2CCO[C@@H]2c2cnn(C)c2)c(C)n1.
What is the InChIKey of (2S,3S)-N-(6-methoxy-2-methyl-3-pyridinyl)-2-(1-methylpyrazol-4-yl)oxolane-3-carboxamide?
The InChIKey is AWUKRJUOXGNFIB-SWLSCSKDSA-N. The full InChI is InChI=1S/C16H20N4O3/c1-10-13(4-5-14(18-10)22-3)19-16(21)12-6-7-23-15(12)11-8-17-20(2)9-11/h4-5,8-9,12,15H,6-7H2,1-3H3,(H,19,21)/t12-,15+/m0/s1.
What are the key properties of (2S,3S)-N-(6-methoxy-2-methyl-3-pyridinyl)-2-(1-methylpyrazol-4-yl)oxolane-3-carboxamide?
(2S,3S)-N-(6-methoxy-2-methyl-3-pyridinyl)-2-(1-methylpyrazol-4-yl)oxolane-3-carboxamide has a molecular weight of 316.36 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-N-(6-methoxy-2-methyl-3-pyridinyl)-2-(1-methylpyrazol-4-yl)oxolane-3-carboxamide is sourced from PubChem (CID 128973421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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