(2R,3R)-2-[5-[5-(dimethylcarbamoyl)-3-pyridinyl]-3-pyridinyl]oxolane-3-carboxylic acid

C18H19N3O4 — CID 136588272

IUPAC(2R,3R)-2-[5-[5-(dimethylcarbamoyl)-3-pyridinyl]-3-pyridinyl]oxolane-3-carboxylic acid
SMILESCN(C)C(=O)c1cncc(-c2cncc([C@@H]3OCC[C@H]3C(=O)O)c2)c1
InChIInChI=1S/C18H19N3O4/c1-21(2)17(22)14-6-12(8-20-10-14)11-5-13(9-19-7-11)16-15(18(23)24)3-4-25-16/h5-10,15-16H,3-4H2,1-2H3,(H,23,24)/t15-,16+/m1/s1
InChIKeyVRTZNVPLOZOMPC-CVEARBPZSA-N
MW341.37 g/mol
LogP2.01
Rot. Bonds4

About (2R,3R)-2-[5-[5-(dimethylcarbamoyl)-3-pyridinyl]-3-pyridinyl]oxolane-3-carboxylic acid

(2R,3R)-2-[5-[5-(dimethylcarbamoyl)-3-pyridinyl]-3-pyridinyl]oxolane-3-carboxylic acid (PubChem CID 136588272) has the molecular formula C18H19N3O4 and a molecular weight of 341.37 g/mol. Its IUPAC name is (2R,3R)-2-[5-[5-(dimethylcarbamoyl)-3-pyridinyl]-3-pyridinyl]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name(2R,3R)-2-[5-[5-(dimethylcarbamoyl)-3-pyridinyl]-3-pyridinyl]oxolane-3-carboxylic acid
PubChem CID136588272
Molecular FormulaC18H19N3O4
Molecular Weight341.37 g/mol
Exact Mass341.14
IUPAC Name(2R,3R)-2-[5-[5-(dimethylcarbamoyl)-3-pyridinyl]-3-pyridinyl]oxolane-3-carboxylic acid
SMILESCN(C)C(=O)c1cncc(-c2cncc([C@@H]3OCC[C@H]3C(=O)O)c2)c1
InChIInChI=1S/C18H19N3O4/c1-21(2)17(22)14-6-12(8-20-10-14)11-5-13(9-19-7-11)16-15(18(23)24)3-4-25-16/h5-10,15-16H,3-4H2,1-2H3,(H,23,24)/t15-,16+/m1/s1
InChIKeyVRTZNVPLOZOMPC-CVEARBPZSA-N
XLogP2.01
TPSA92.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R,3R)-2-[5-[2-(hydroxymethyl)-4-methylphenyl]-3-pyridinyl]oxolane-3-carboxylic acid
CID 154796006
(2R,3R)-2-(1-propan-2-ylpyrazol-4-yl)oxolane-3-carboxylic acid
CID 124680941
(2S,3R)-2-(1-ethylpyrazol-4-yl)oxolane-3-carboxylic acid
CID 124681119
N,N-dimethyl-5-(5-methyl-1-oxo-2,3,4,5-tetrahydropyrrolo[1,2-a][1,4]diazepin-8-yl)pyridine-3-carboxamide
CID 166295293
2-(3,5-difluorophenyl)oxolane-3-carboxylic acid
CID 106534410
(2R,3R)-2-(5-bromo-3-pyridinyl)oxolane-3-carboxamide
CID 166243845
2-(4-cyclopropylphenyl)oxolane-3-carboxylic acid
CID 79978253
2-(3-methylimidazol-4-yl)oxolane-3-carboxylic acid
CID 79367840
2-(3-bromo-4-methylphenyl)oxolane-3-carboxylic acid
CID 105411654
N-methyl-5-phenyl-N-pyrrolidin-3-ylpyridine-3-carboxamide
CID 119552362
N-methyl-5-phenyl-N-pyrrolidin-3-ylpyridine-3-carboxamide;dihydrochloride
CID 119552361
(2S,3R)-2-[5-(1-methylpyrazol-4-yl)-3-pyridinyl]oxolan-3-amine
CID 138039441

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-[5-[5-(dimethylcarbamoyl)-3-pyridinyl]-3-pyridinyl]oxolane-3-carboxylic acid?
The IUPAC name of (2R,3R)-2-[5-[5-(dimethylcarbamoyl)-3-pyridinyl]-3-pyridinyl]oxolane-3-carboxylic acid (CID 136588272) is (2R,3R)-2-[5-[5-(dimethylcarbamoyl)-3-pyridinyl]-3-pyridinyl]oxolane-3-carboxylic acid.
What is the SMILES notation for (2R,3R)-2-[5-[5-(dimethylcarbamoyl)-3-pyridinyl]-3-pyridinyl]oxolane-3-carboxylic acid?
The canonical SMILES for (2R,3R)-2-[5-[5-(dimethylcarbamoyl)-3-pyridinyl]-3-pyridinyl]oxolane-3-carboxylic acid is CN(C)C(=O)c1cncc(-c2cncc([C@@H]3OCC[C@H]3C(=O)O)c2)c1.
What is the InChIKey of (2R,3R)-2-[5-[5-(dimethylcarbamoyl)-3-pyridinyl]-3-pyridinyl]oxolane-3-carboxylic acid?
The InChIKey is VRTZNVPLOZOMPC-CVEARBPZSA-N. The full InChI is InChI=1S/C18H19N3O4/c1-21(2)17(22)14-6-12(8-20-10-14)11-5-13(9-19-7-11)16-15(18(23)24)3-4-25-16/h5-10,15-16H,3-4H2,1-2H3,(H,23,24)/t15-,16+/m1/s1.
What are the key properties of (2R,3R)-2-[5-[5-(dimethylcarbamoyl)-3-pyridinyl]-3-pyridinyl]oxolane-3-carboxylic acid?
(2R,3R)-2-[5-[5-(dimethylcarbamoyl)-3-pyridinyl]-3-pyridinyl]oxolane-3-carboxylic acid has a molecular weight of 341.37 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-[5-[5-(dimethylcarbamoyl)-3-pyridinyl]-3-pyridinyl]oxolane-3-carboxylic acid is sourced from PubChem (CID 136588272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).