(2S,3S)-N-methyl-2-(1-propan-2-ylpyrazol-4-yl)-N-(2-pyridin-2-ylethyl)oxolane-3-carboxamide

C19H26N4O2 — CID 128968659

IUPAC(2S,3S)-N-methyl-2-(1-propan-2-ylpyrazol-4-yl)-N-(2-pyridin-2-ylethyl)oxolane-3-carboxamide
SMILESCC(C)n1cc([C@H]2OCC[C@@H]2C(=O)N(C)CCc2ccccn2)cn1
InChIInChI=1S/C19H26N4O2/c1-14(2)23-13-15(12-21-23)18-17(8-11-25-18)19(24)22(3)10-7-16-6-4-5-9-20-16/h4-6,9,12-14,17-18H,7-8,10-11H2,1-3H3/t17-,18+/m0/s1
InChIKeyVFOAOSIILSXOJW-ZWKOTPCHSA-N
MW342.44 g/mol
LogP2.64
Rot. Bonds6

About (2S,3S)-N-methyl-2-(1-propan-2-ylpyrazol-4-yl)-N-(2-pyridin-2-ylethyl)oxolane-3-carboxamide

(2S,3S)-N-methyl-2-(1-propan-2-ylpyrazol-4-yl)-N-(2-pyridin-2-ylethyl)oxolane-3-carboxamide (PubChem CID 128968659) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is (2S,3S)-N-methyl-2-(1-propan-2-ylpyrazol-4-yl)-N-(2-pyridin-2-ylethyl)oxolane-3-carboxamide.

Molecular Properties

Compound Name(2S,3S)-N-methyl-2-(1-propan-2-ylpyrazol-4-yl)-N-(2-pyridin-2-ylethyl)oxolane-3-carboxamide
PubChem CID128968659
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name(2S,3S)-N-methyl-2-(1-propan-2-ylpyrazol-4-yl)-N-(2-pyridin-2-ylethyl)oxolane-3-carboxamide
SMILESCC(C)n1cc([C@H]2OCC[C@@H]2C(=O)N(C)CCc2ccccn2)cn1
InChIInChI=1S/C19H26N4O2/c1-14(2)23-13-15(12-21-23)18-17(8-11-25-18)19(24)22(3)10-7-16-6-4-5-9-20-16/h4-6,9,12-14,17-18H,7-8,10-11H2,1-3H3/t17-,18+/m0/s1
InChIKeyVFOAOSIILSXOJW-ZWKOTPCHSA-N
XLogP2.64
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2R,3R)-2-(1-propan-2-ylpyrazol-4-yl)-N-(1,3-thiazol-2-ylmethyl)oxolane-3-carboxamide
CID 166324188
(2S,3S)-N-[(2-fluorophenyl)methyl]-N-methyl-2-(1-methylpyrazol-4-yl)oxolane-3-carboxamide
CID 129005523
N-methyl-4-(methylamino)-N-(2-pyridin-2-ylethyl)oxolane-3-carboxamide
CID 66267541
1-methyl-3-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]-1-(2-pyridin-2-ylethyl)urea
CID 126445887
(2S,3S)-N-(2-acetamidoethyl)-2-[1-(2-methoxyethyl)pyrazol-4-yl]-N-methyloxolane-3-carboxamide
CID 138002359
1-[methyl(2-pyridin-2-ylethyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 61195359
3-methyl-1-[methyl(2-pyridin-2-ylethyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 102781714
ethane;N-methyl-N-(2-pyridin-2-ylethyl)acetamide
CID 143678158
N-[(1R,2S)-2-[methyl(2-pyridin-2-ylethyl)carbamoyl]cyclopentyl]pyridine-4-carboxamide
CID 91925628
3,3-dimethyl-2-[[methyl(2-pyridin-2-ylethyl)carbamoyl]amino]butanoic acid
CID 61196298
5-[methyl(2-pyridin-2-ylethyl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid
CID 107426726
2-[methyl(2-pyridin-2-ylethyl)amino]cyclopropane-1-carboxylic acid
CID 117042811

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-N-methyl-2-(1-propan-2-ylpyrazol-4-yl)-N-(2-pyridin-2-ylethyl)oxolane-3-carboxamide?
The IUPAC name of (2S,3S)-N-methyl-2-(1-propan-2-ylpyrazol-4-yl)-N-(2-pyridin-2-ylethyl)oxolane-3-carboxamide (CID 128968659) is (2S,3S)-N-methyl-2-(1-propan-2-ylpyrazol-4-yl)-N-(2-pyridin-2-ylethyl)oxolane-3-carboxamide.
What is the SMILES notation for (2S,3S)-N-methyl-2-(1-propan-2-ylpyrazol-4-yl)-N-(2-pyridin-2-ylethyl)oxolane-3-carboxamide?
The canonical SMILES for (2S,3S)-N-methyl-2-(1-propan-2-ylpyrazol-4-yl)-N-(2-pyridin-2-ylethyl)oxolane-3-carboxamide is CC(C)n1cc([C@H]2OCC[C@@H]2C(=O)N(C)CCc2ccccn2)cn1.
What is the InChIKey of (2S,3S)-N-methyl-2-(1-propan-2-ylpyrazol-4-yl)-N-(2-pyridin-2-ylethyl)oxolane-3-carboxamide?
The InChIKey is VFOAOSIILSXOJW-ZWKOTPCHSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-14(2)23-13-15(12-21-23)18-17(8-11-25-18)19(24)22(3)10-7-16-6-4-5-9-20-16/h4-6,9,12-14,17-18H,7-8,10-11H2,1-3H3/t17-,18+/m0/s1.
What are the key properties of (2S,3S)-N-methyl-2-(1-propan-2-ylpyrazol-4-yl)-N-(2-pyridin-2-ylethyl)oxolane-3-carboxamide?
(2S,3S)-N-methyl-2-(1-propan-2-ylpyrazol-4-yl)-N-(2-pyridin-2-ylethyl)oxolane-3-carboxamide has a molecular weight of 342.44 g/mol, XLogP of 2.64, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-N-methyl-2-(1-propan-2-ylpyrazol-4-yl)-N-(2-pyridin-2-ylethyl)oxolane-3-carboxamide is sourced from PubChem (CID 128968659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).