(2S,3R,4R)-N-[6-[(1R)-1,2-dihydroxyethyl]-3-pyridinyl]-3-(2-methoxy-3,4-dimethylphenyl)-4,5,5-trimethyloxolane-2-carboxamide

C24H32N2O5 — CID 166159109

IUPAC(2S,3R,4R)-N-[6-[(1R)-1,2-dihydroxyethyl]-3-pyridinyl]-3-(2-methoxy-3,4-dimethylphenyl)-4,5,5-trimethyloxolane-2-carboxamide
SMILESCOc1c([C@@H]2[C@@H](C(=O)Nc3ccc([C@@H](O)CO)nc3)OC(C)(C)[C@@H]2C)ccc(C)c1C
InChIInChI=1S/C24H32N2O5/c1-13-7-9-17(21(30-6)14(13)2)20-15(3)24(4,5)31-22(20)23(29)26-16-8-10-18(25-11-16)19(28)12-27/h7-11,15,19-20,22,27-28H,12H2,1-6H3,(H,26,29)/t15-,19+,20-,22+/m1/s1
InChIKeyOCBVRMKKWYGUNQ-BTIFBSDPSA-N
MW428.53 g/mol
LogP3.27
Rot. Bonds6

About (2S,3R,4R)-N-[6-[(1R)-1,2-dihydroxyethyl]-3-pyridinyl]-3-(2-methoxy-3,4-dimethylphenyl)-4,5,5-trimethyloxolane-2-carboxamide

(2S,3R,4R)-N-[6-[(1R)-1,2-dihydroxyethyl]-3-pyridinyl]-3-(2-methoxy-3,4-dimethylphenyl)-4,5,5-trimethyloxolane-2-carboxamide (PubChem CID 166159109) has the molecular formula C24H32N2O5 and a molecular weight of 428.53 g/mol. Its IUPAC name is (2S,3R,4R)-N-[6-[(1R)-1,2-dihydroxyethyl]-3-pyridinyl]-3-(2-methoxy-3,4-dimethylphenyl)-4,5,5-trimethyloxolane-2-carboxamide.

Molecular Properties

Compound Name(2S,3R,4R)-N-[6-[(1R)-1,2-dihydroxyethyl]-3-pyridinyl]-3-(2-methoxy-3,4-dimethylphenyl)-4,5,5-trimethyloxolane-2-carboxamide
PubChem CID166159109
Molecular FormulaC24H32N2O5
Molecular Weight428.53 g/mol
Exact Mass428.23
IUPAC Name(2S,3R,4R)-N-[6-[(1R)-1,2-dihydroxyethyl]-3-pyridinyl]-3-(2-methoxy-3,4-dimethylphenyl)-4,5,5-trimethyloxolane-2-carboxamide
SMILESCOc1c([C@@H]2[C@@H](C(=O)Nc3ccc([C@@H](O)CO)nc3)OC(C)(C)[C@@H]2C)ccc(C)c1C
InChIInChI=1S/C24H32N2O5/c1-13-7-9-17(21(30-6)14(13)2)20-15(3)24(4,5)31-22(20)23(29)26-16-8-10-18(25-11-16)19(28)12-27/h7-11,15,19-20,22,27-28H,12H2,1-6H3,(H,26,29)/t15-,19+,20-,22+/m1/s1
InChIKeyOCBVRMKKWYGUNQ-BTIFBSDPSA-N
XLogP3.27
TPSA100.91 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.53
LogP ≤ 53.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (2S,3R,4R)-N-[6-[(1R)-1,2-dihydroxyethyl]-3-pyridinyl]-3-(2-methoxy-3,4-dimethylphenyl)-4,5,5-trimethyloxolane-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4R)-N-[6-[(1R)-1,2-dihydroxyethyl]-3-pyridinyl]-3-(2-methoxy-3,4-dimethylphenyl)-4,5,5-trimethyloxolane-2-carboxamide?
The IUPAC name of (2S,3R,4R)-N-[6-[(1R)-1,2-dihydroxyethyl]-3-pyridinyl]-3-(2-methoxy-3,4-dimethylphenyl)-4,5,5-trimethyloxolane-2-carboxamide (CID 166159109) is (2S,3R,4R)-N-[6-[(1R)-1,2-dihydroxyethyl]-3-pyridinyl]-3-(2-methoxy-3,4-dimethylphenyl)-4,5,5-trimethyloxolane-2-carboxamide.
What is the SMILES notation for (2S,3R,4R)-N-[6-[(1R)-1,2-dihydroxyethyl]-3-pyridinyl]-3-(2-methoxy-3,4-dimethylphenyl)-4,5,5-trimethyloxolane-2-carboxamide?
The canonical SMILES for (2S,3R,4R)-N-[6-[(1R)-1,2-dihydroxyethyl]-3-pyridinyl]-3-(2-methoxy-3,4-dimethylphenyl)-4,5,5-trimethyloxolane-2-carboxamide is COc1c([C@@H]2[C@@H](C(=O)Nc3ccc([C@@H](O)CO)nc3)OC(C)(C)[C@@H]2C)ccc(C)c1C.
What is the InChIKey of (2S,3R,4R)-N-[6-[(1R)-1,2-dihydroxyethyl]-3-pyridinyl]-3-(2-methoxy-3,4-dimethylphenyl)-4,5,5-trimethyloxolane-2-carboxamide?
The InChIKey is OCBVRMKKWYGUNQ-BTIFBSDPSA-N. The full InChI is InChI=1S/C24H32N2O5/c1-13-7-9-17(21(30-6)14(13)2)20-15(3)24(4,5)31-22(20)23(29)26-16-8-10-18(25-11-16)19(28)12-27/h7-11,15,19-20,22,27-28H,12H2,1-6H3,(H,26,29)/t15-,19+,20-,22+/m1/s1.
What are the key properties of (2S,3R,4R)-N-[6-[(1R)-1,2-dihydroxyethyl]-3-pyridinyl]-3-(2-methoxy-3,4-dimethylphenyl)-4,5,5-trimethyloxolane-2-carboxamide?
(2S,3R,4R)-N-[6-[(1R)-1,2-dihydroxyethyl]-3-pyridinyl]-3-(2-methoxy-3,4-dimethylphenyl)-4,5,5-trimethyloxolane-2-carboxamide has a molecular weight of 428.53 g/mol, XLogP of 3.27, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4R)-N-[6-[(1R)-1,2-dihydroxyethyl]-3-pyridinyl]-3-(2-methoxy-3,4-dimethylphenyl)-4,5,5-trimethyloxolane-2-carboxamide is sourced from PubChem (CID 166159109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).