(2S,3S)-N-[(1R)-1-pyridin-3-ylethyl]-2-(1,3,5-trimethylpyrazol-4-yl)oxolane-3-carboxamide

C18H24N4O2 — CID 129327246

IUPAC(2S,3S)-N-[(1R)-1-pyridin-3-ylethyl]-2-(1,3,5-trimethylpyrazol-4-yl)oxolane-3-carboxamide
SMILESCc1nn(C)c(C)c1[C@H]1OCC[C@@H]1C(=O)N[C@H](C)c1cccnc1
InChIInChI=1S/C18H24N4O2/c1-11(14-6-5-8-19-10-14)20-18(23)15-7-9-24-17(15)16-12(2)21-22(4)13(16)3/h5-6,8,10-11,15,17H,7,9H2,1-4H3,(H,20,23)/t11-,15+,17+/m1/s1
InChIKeyRKCWNCXWURRAPG-PJQXDXOGSA-N
MW328.42 g/mol
LogP2.39
Rot. Bonds4

About (2S,3S)-N-[(1R)-1-pyridin-3-ylethyl]-2-(1,3,5-trimethylpyrazol-4-yl)oxolane-3-carboxamide

(2S,3S)-N-[(1R)-1-pyridin-3-ylethyl]-2-(1,3,5-trimethylpyrazol-4-yl)oxolane-3-carboxamide (PubChem CID 129327246) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is (2S,3S)-N-[(1R)-1-pyridin-3-ylethyl]-2-(1,3,5-trimethylpyrazol-4-yl)oxolane-3-carboxamide.

Molecular Properties

Compound Name(2S,3S)-N-[(1R)-1-pyridin-3-ylethyl]-2-(1,3,5-trimethylpyrazol-4-yl)oxolane-3-carboxamide
PubChem CID129327246
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name(2S,3S)-N-[(1R)-1-pyridin-3-ylethyl]-2-(1,3,5-trimethylpyrazol-4-yl)oxolane-3-carboxamide
SMILESCc1nn(C)c(C)c1[C@H]1OCC[C@@H]1C(=O)N[C@H](C)c1cccnc1
InChIInChI=1S/C18H24N4O2/c1-11(14-6-5-8-19-10-14)20-18(23)15-7-9-24-17(15)16-12(2)21-22(4)13(16)3/h5-6,8,10-11,15,17H,7,9H2,1-4H3,(H,20,23)/t11-,15+,17+/m1/s1
InChIKeyRKCWNCXWURRAPG-PJQXDXOGSA-N
XLogP2.39
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S,3S)-N-(3-methyl-4-pyridinyl)-2-(1,3,5-trimethylpyrazol-4-yl)oxolane-3-carboxamide
CID 128995869
(2S,3S)-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]-2-(1,3,5-trimethylpyrazol-4-yl)oxolane-3-carboxamide
CID 129326780
(2S,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolane-3-carboxylic acid
CID 86812166
(2S,3S)-N-(2,6-dimethyl-3-pyridinyl)-2-(1,3,5-trimethylpyrazol-4-yl)oxolane-3-carboxamide
CID 128972023
1-[(1R)-1-(furan-2-yl)ethyl]-3-[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]urea
CID 129331100
2-(1-pyridin-3-ylethylcarbamoyl)cyclopropane-1-carboxylic acid
CID 54918472
(2S,3S)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(1,3,5-trimethylpyrazol-4-yl)oxolane-3-carboxamide
CID 128973107
N-[(1S)-1-pyridin-3-ylethyl]bicyclo[3.1.0]hexane-3-carboxamide
CID 81405077
4-methyl-2-[[(1S)-1-pyridin-3-ylethyl]carbamoyl]cyclopentane-1-carboxylic acid
CID 104919786
3-amino-N-[(1S)-1-pyridin-3-ylethyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 81404200
2-(aminomethyl)-N-[(1R)-1-pyridin-3-ylethyl]cyclohexane-1-carboxamide
CID 81404734
(2S,3S)-2-(1,5-dimethylpyrazol-4-yl)-N-[(1R)-1-(5-methylfuran-2-yl)ethyl]oxolane-3-carboxamide
CID 129472390

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-N-[(1R)-1-pyridin-3-ylethyl]-2-(1,3,5-trimethylpyrazol-4-yl)oxolane-3-carboxamide?
The IUPAC name of (2S,3S)-N-[(1R)-1-pyridin-3-ylethyl]-2-(1,3,5-trimethylpyrazol-4-yl)oxolane-3-carboxamide (CID 129327246) is (2S,3S)-N-[(1R)-1-pyridin-3-ylethyl]-2-(1,3,5-trimethylpyrazol-4-yl)oxolane-3-carboxamide.
What is the SMILES notation for (2S,3S)-N-[(1R)-1-pyridin-3-ylethyl]-2-(1,3,5-trimethylpyrazol-4-yl)oxolane-3-carboxamide?
The canonical SMILES for (2S,3S)-N-[(1R)-1-pyridin-3-ylethyl]-2-(1,3,5-trimethylpyrazol-4-yl)oxolane-3-carboxamide is Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1C(=O)N[C@H](C)c1cccnc1.
What is the InChIKey of (2S,3S)-N-[(1R)-1-pyridin-3-ylethyl]-2-(1,3,5-trimethylpyrazol-4-yl)oxolane-3-carboxamide?
The InChIKey is RKCWNCXWURRAPG-PJQXDXOGSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-11(14-6-5-8-19-10-14)20-18(23)15-7-9-24-17(15)16-12(2)21-22(4)13(16)3/h5-6,8,10-11,15,17H,7,9H2,1-4H3,(H,20,23)/t11-,15+,17+/m1/s1.
What are the key properties of (2S,3S)-N-[(1R)-1-pyridin-3-ylethyl]-2-(1,3,5-trimethylpyrazol-4-yl)oxolane-3-carboxamide?
(2S,3S)-N-[(1R)-1-pyridin-3-ylethyl]-2-(1,3,5-trimethylpyrazol-4-yl)oxolane-3-carboxamide has a molecular weight of 328.42 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-N-[(1R)-1-pyridin-3-ylethyl]-2-(1,3,5-trimethylpyrazol-4-yl)oxolane-3-carboxamide is sourced from PubChem (CID 129327246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).