N-[(3R,4S,5R)-4,5-dimethoxyoxan-3-yl]-N-methyl-2-pyridin-4-ylacetamide

C15H22N2O4 — CID 155996501

IUPACN-[(3R,4S,5R)-4,5-dimethoxyoxan-3-yl]-N-methyl-2-pyridin-4-ylacetamide
SMILESCO[C@H]1[C@H](N(C)C(=O)Cc2ccncc2)COC[C@H]1OC
InChIInChI=1S/C15H22N2O4/c1-17(14(18)8-11-4-6-16-7-5-11)12-9-21-10-13(19-2)15(12)20-3/h4-7,12-13,15H,8-10H2,1-3H3/t12-,13-,15+/m1/s1
InChIKeyDMMGPKVSCVXEKA-NFAWXSAZSA-N
MW294.35 g/mol
LogP0.51
Rot. Bonds5

About N-[(3R,4S,5R)-4,5-dimethoxyoxan-3-yl]-N-methyl-2-pyridin-4-ylacetamide

N-[(3R,4S,5R)-4,5-dimethoxyoxan-3-yl]-N-methyl-2-pyridin-4-ylacetamide (PubChem CID 155996501) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is N-[(3R,4S,5R)-4,5-dimethoxyoxan-3-yl]-N-methyl-2-pyridin-4-ylacetamide.

Molecular Properties

Compound NameN-[(3R,4S,5R)-4,5-dimethoxyoxan-3-yl]-N-methyl-2-pyridin-4-ylacetamide
PubChem CID155996501
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC NameN-[(3R,4S,5R)-4,5-dimethoxyoxan-3-yl]-N-methyl-2-pyridin-4-ylacetamide
SMILESCO[C@H]1[C@H](N(C)C(=O)Cc2ccncc2)COC[C@H]1OC
InChIInChI=1S/C15H22N2O4/c1-17(14(18)8-11-4-6-16-7-5-11)12-9-21-10-13(19-2)15(12)20-3/h4-7,12-13,15H,8-10H2,1-3H3/t12-,13-,15+/m1/s1
InChIKeyDMMGPKVSCVXEKA-NFAWXSAZSA-N
XLogP0.51
TPSA60.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 50.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-[(3R,4S,5R)-4,5-dimethoxyoxan-3-yl]-N-methyl-2-pyridin-4-ylacetamide 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 N-[(3R,4S,5R)-4,5-dimethoxyoxan-3-yl]-N-methyl-2-pyridin-4-ylacetamide?
The IUPAC name of N-[(3R,4S,5R)-4,5-dimethoxyoxan-3-yl]-N-methyl-2-pyridin-4-ylacetamide (CID 155996501) is N-[(3R,4S,5R)-4,5-dimethoxyoxan-3-yl]-N-methyl-2-pyridin-4-ylacetamide.
What is the SMILES notation for N-[(3R,4S,5R)-4,5-dimethoxyoxan-3-yl]-N-methyl-2-pyridin-4-ylacetamide?
The canonical SMILES for N-[(3R,4S,5R)-4,5-dimethoxyoxan-3-yl]-N-methyl-2-pyridin-4-ylacetamide is CO[C@H]1[C@H](N(C)C(=O)Cc2ccncc2)COC[C@H]1OC.
What is the InChIKey of N-[(3R,4S,5R)-4,5-dimethoxyoxan-3-yl]-N-methyl-2-pyridin-4-ylacetamide?
The InChIKey is DMMGPKVSCVXEKA-NFAWXSAZSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-17(14(18)8-11-4-6-16-7-5-11)12-9-21-10-13(19-2)15(12)20-3/h4-7,12-13,15H,8-10H2,1-3H3/t12-,13-,15+/m1/s1.
What are the key properties of N-[(3R,4S,5R)-4,5-dimethoxyoxan-3-yl]-N-methyl-2-pyridin-4-ylacetamide?
N-[(3R,4S,5R)-4,5-dimethoxyoxan-3-yl]-N-methyl-2-pyridin-4-ylacetamide has a molecular weight of 294.35 g/mol, XLogP of 0.51, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S,5R)-4,5-dimethoxyoxan-3-yl]-N-methyl-2-pyridin-4-ylacetamide is sourced from PubChem (CID 155996501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).