(2S,3S)-N-[(3,5-dimethyl-2-pyridinyl)methyl]-3-(pyrazol-1-ylmethyl)oxolane-2-carboxamide

C17H22N4O2 — CID 164640634

IUPAC(2S,3S)-N-[(3,5-dimethyl-2-pyridinyl)methyl]-3-(pyrazol-1-ylmethyl)oxolane-2-carboxamide
SMILESCc1cnc(CNC(=O)[C@H]2OCC[C@H]2Cn2cccn2)c(C)c1
InChIInChI=1S/C17H22N4O2/c1-12-8-13(2)15(18-9-12)10-19-17(22)16-14(4-7-23-16)11-21-6-3-5-20-21/h3,5-6,8-9,14,16H,4,7,10-11H2,1-2H3,(H,19,22)/t14-,16-/m0/s1
InChIKeyUDBPFTZPTHLHAF-HOCLYGCPSA-N
MW314.39 g/mol
LogP1.62
Rot. Bonds5

About (2S,3S)-N-[(3,5-dimethyl-2-pyridinyl)methyl]-3-(pyrazol-1-ylmethyl)oxolane-2-carboxamide

(2S,3S)-N-[(3,5-dimethyl-2-pyridinyl)methyl]-3-(pyrazol-1-ylmethyl)oxolane-2-carboxamide (PubChem CID 164640634) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is (2S,3S)-N-[(3,5-dimethyl-2-pyridinyl)methyl]-3-(pyrazol-1-ylmethyl)oxolane-2-carboxamide.

Molecular Properties

Compound Name(2S,3S)-N-[(3,5-dimethyl-2-pyridinyl)methyl]-3-(pyrazol-1-ylmethyl)oxolane-2-carboxamide
PubChem CID164640634
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name(2S,3S)-N-[(3,5-dimethyl-2-pyridinyl)methyl]-3-(pyrazol-1-ylmethyl)oxolane-2-carboxamide
SMILESCc1cnc(CNC(=O)[C@H]2OCC[C@H]2Cn2cccn2)c(C)c1
InChIInChI=1S/C17H22N4O2/c1-12-8-13(2)15(18-9-12)10-19-17(22)16-14(4-7-23-16)11-21-6-3-5-20-21/h3,5-6,8-9,14,16H,4,7,10-11H2,1-2H3,(H,19,22)/t14-,16-/m0/s1
InChIKeyUDBPFTZPTHLHAF-HOCLYGCPSA-N
XLogP1.62
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2S,3S)-N-[(3,5-dimethyl-2-pyridinyl)methyl]-3-(pyrazol-1-ylmethyl)oxolane-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,3S)-N-[(3,5-dimethyl-2-pyridinyl)methyl]-3-(pyrazol-1-ylmethyl)oxolane-2-carboxamide?
The IUPAC name of (2S,3S)-N-[(3,5-dimethyl-2-pyridinyl)methyl]-3-(pyrazol-1-ylmethyl)oxolane-2-carboxamide (CID 164640634) is (2S,3S)-N-[(3,5-dimethyl-2-pyridinyl)methyl]-3-(pyrazol-1-ylmethyl)oxolane-2-carboxamide.
What is the SMILES notation for (2S,3S)-N-[(3,5-dimethyl-2-pyridinyl)methyl]-3-(pyrazol-1-ylmethyl)oxolane-2-carboxamide?
The canonical SMILES for (2S,3S)-N-[(3,5-dimethyl-2-pyridinyl)methyl]-3-(pyrazol-1-ylmethyl)oxolane-2-carboxamide is Cc1cnc(CNC(=O)[C@H]2OCC[C@H]2Cn2cccn2)c(C)c1.
What is the InChIKey of (2S,3S)-N-[(3,5-dimethyl-2-pyridinyl)methyl]-3-(pyrazol-1-ylmethyl)oxolane-2-carboxamide?
The InChIKey is UDBPFTZPTHLHAF-HOCLYGCPSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-12-8-13(2)15(18-9-12)10-19-17(22)16-14(4-7-23-16)11-21-6-3-5-20-21/h3,5-6,8-9,14,16H,4,7,10-11H2,1-2H3,(H,19,22)/t14-,16-/m0/s1.
What are the key properties of (2S,3S)-N-[(3,5-dimethyl-2-pyridinyl)methyl]-3-(pyrazol-1-ylmethyl)oxolane-2-carboxamide?
(2S,3S)-N-[(3,5-dimethyl-2-pyridinyl)methyl]-3-(pyrazol-1-ylmethyl)oxolane-2-carboxamide has a molecular weight of 314.39 g/mol, XLogP of 1.62, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-N-[(3,5-dimethyl-2-pyridinyl)methyl]-3-(pyrazol-1-ylmethyl)oxolane-2-carboxamide is sourced from PubChem (CID 164640634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).