N-[2-[(2R,5S,6S)-6-(hydroxymethyl)-5-[(2-pyridin-3-ylacetyl)amino]oxan-2-yl]ethyl]-3-piperidin-1-ylpropanamide

C23H36N4O4 — CID 54639295

IUPACN-[2-[(2R,5S,6S)-6-(hydroxymethyl)-5-[(2-pyridin-3-ylacetyl)amino]oxan-2-yl]ethyl]-3-piperidin-1-ylpropanamide
SMILESO=C(CCN1CCCCC1)NCC[C@H]1CC[C@H](NC(=O)Cc2cccnc2)[C@@H](CO)O1
InChIInChI=1S/C23H36N4O4/c28-17-21-20(26-23(30)15-18-5-4-10-24-16-18)7-6-19(31-21)8-11-25-22(29)9-14-27-12-2-1-3-13-27/h4-5,10,16,19-21,28H,1-3,6-9,11-15,17H2,(H,25,29)(H,26,30)/t19-,20+,21-/m1/s1
InChIKeyZCGNSQNJACZJHF-QHAWAJNXSA-N
MW432.57 g/mol
LogP1.03
Rot. Bonds10

About N-[2-[(2R,5S,6S)-6-(hydroxymethyl)-5-[(2-pyridin-3-ylacetyl)amino]oxan-2-yl]ethyl]-3-piperidin-1-ylpropanamide

N-[2-[(2R,5S,6S)-6-(hydroxymethyl)-5-[(2-pyridin-3-ylacetyl)amino]oxan-2-yl]ethyl]-3-piperidin-1-ylpropanamide (PubChem CID 54639295) has the molecular formula C23H36N4O4 and a molecular weight of 432.57 g/mol. Its IUPAC name is N-[2-[(2R,5S,6S)-6-(hydroxymethyl)-5-[(2-pyridin-3-ylacetyl)amino]oxan-2-yl]ethyl]-3-piperidin-1-ylpropanamide.

Molecular Properties

Compound NameN-[2-[(2R,5S,6S)-6-(hydroxymethyl)-5-[(2-pyridin-3-ylacetyl)amino]oxan-2-yl]ethyl]-3-piperidin-1-ylpropanamide
PubChem CID54639295
Molecular FormulaC23H36N4O4
Molecular Weight432.57 g/mol
Exact Mass432.27
IUPAC NameN-[2-[(2R,5S,6S)-6-(hydroxymethyl)-5-[(2-pyridin-3-ylacetyl)amino]oxan-2-yl]ethyl]-3-piperidin-1-ylpropanamide
SMILESO=C(CCN1CCCCC1)NCC[C@H]1CC[C@H](NC(=O)Cc2cccnc2)[C@@H](CO)O1
InChIInChI=1S/C23H36N4O4/c28-17-21-20(26-23(30)15-18-5-4-10-24-16-18)7-6-19(31-21)8-11-25-22(29)9-14-27-12-2-1-3-13-27/h4-5,10,16,19-21,28H,1-3,6-9,11-15,17H2,(H,25,29)(H,26,30)/t19-,20+,21-/m1/s1
InChIKeyZCGNSQNJACZJHF-QHAWAJNXSA-N
XLogP1.03
TPSA103.79 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.57
LogP ≤ 51.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[2-[(2R,5S,6S)-6-(hydroxymethyl)-5-[(2-pyridin-3-ylacetyl)amino]oxan-2-yl]ethyl]-3-piperidin-1-ylpropanamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[2-[(2S,5R,6R)-5-[(4-chlorophenyl)carbamoylamino]-6-(hydroxymethyl)oxan-2-yl]ethyl]-3-piperidin-1-ylpropanamide
CID 54642216
N-[3-(dimethylamino)propyl]-2-[(2R,5R,6R)-6-(hydroxymethyl)-5-[(2-pyridin-3-ylacetyl)amino]oxan-2-yl]acetamide
CID 54640055
N-[(2S,3R,6R)-2-(hydroxymethyl)-6-[2-[(2-pyridin-4-ylacetyl)amino]ethyl]oxan-3-yl]cyclohexanecarboxamide
CID 54645194
N-[(2S,3R,6R)-6-[2-[4-(2-fluorophenyl)triazol-1-yl]ethyl]-2-(hydroxymethyl)oxan-3-yl]-2-pyridin-3-ylacetamide
CID 54643560
2-[(2S,5R,6R)-6-(hydroxymethyl)-5-[(2-pyridin-3-ylacetyl)amino]oxan-2-yl]-N-(4-phenylphenyl)acetamide
CID 54639142
2-[(2R,5R,6S)-6-(hydroxymethyl)-5-[(2-pyridin-3-ylacetyl)amino]oxan-2-yl]-N-(4-phenylphenyl)acetamide
CID 54639138
N-[(2S,3R,6R)-2-(hydroxymethyl)-6-[2-[(2-pyridin-4-ylacetyl)amino]ethyl]oxan-3-yl]oxane-4-carboxamide
CID 54644159
N-[(2S,3S,6S)-2-(hydroxymethyl)-6-[2-[(2-pyridin-4-ylacetyl)amino]ethyl]oxan-3-yl]oxane-4-carboxamide
CID 54644157
N-[(2R,3R,6S)-2-(hydroxymethyl)-6-[2-oxo-2-(2-piperidin-1-ylethylamino)ethyl]oxan-3-yl]propanamide
CID 54639755
N-[2-[(2R,5R,6S)-6-(hydroxymethyl)-5-[(2-morpholin-4-ylacetyl)amino]oxan-2-yl]ethyl]-2-pyridin-2-ylacetamide
CID 54645330
N-[(2S,3S,6R)-6-[2-(cyclohexanecarbonylamino)ethyl]-2-(hydroxymethyl)oxan-3-yl]pyridine-4-carboxamide
CID 54643277
N-[(2R,3R,6S)-6-[2-(4-cyclohexyltriazol-1-yl)ethyl]-2-(hydroxymethyl)oxan-3-yl]pyridine-3-carboxamide
CID 54645059

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2R,5S,6S)-6-(hydroxymethyl)-5-[(2-pyridin-3-ylacetyl)amino]oxan-2-yl]ethyl]-3-piperidin-1-ylpropanamide?
The IUPAC name of N-[2-[(2R,5S,6S)-6-(hydroxymethyl)-5-[(2-pyridin-3-ylacetyl)amino]oxan-2-yl]ethyl]-3-piperidin-1-ylpropanamide (CID 54639295) is N-[2-[(2R,5S,6S)-6-(hydroxymethyl)-5-[(2-pyridin-3-ylacetyl)amino]oxan-2-yl]ethyl]-3-piperidin-1-ylpropanamide.
What is the SMILES notation for N-[2-[(2R,5S,6S)-6-(hydroxymethyl)-5-[(2-pyridin-3-ylacetyl)amino]oxan-2-yl]ethyl]-3-piperidin-1-ylpropanamide?
The canonical SMILES for N-[2-[(2R,5S,6S)-6-(hydroxymethyl)-5-[(2-pyridin-3-ylacetyl)amino]oxan-2-yl]ethyl]-3-piperidin-1-ylpropanamide is O=C(CCN1CCCCC1)NCC[C@H]1CC[C@H](NC(=O)Cc2cccnc2)[C@@H](CO)O1.
What is the InChIKey of N-[2-[(2R,5S,6S)-6-(hydroxymethyl)-5-[(2-pyridin-3-ylacetyl)amino]oxan-2-yl]ethyl]-3-piperidin-1-ylpropanamide?
The InChIKey is ZCGNSQNJACZJHF-QHAWAJNXSA-N. The full InChI is InChI=1S/C23H36N4O4/c28-17-21-20(26-23(30)15-18-5-4-10-24-16-18)7-6-19(31-21)8-11-25-22(29)9-14-27-12-2-1-3-13-27/h4-5,10,16,19-21,28H,1-3,6-9,11-15,17H2,(H,25,29)(H,26,30)/t19-,20+,21-/m1/s1.
What are the key properties of N-[2-[(2R,5S,6S)-6-(hydroxymethyl)-5-[(2-pyridin-3-ylacetyl)amino]oxan-2-yl]ethyl]-3-piperidin-1-ylpropanamide?
N-[2-[(2R,5S,6S)-6-(hydroxymethyl)-5-[(2-pyridin-3-ylacetyl)amino]oxan-2-yl]ethyl]-3-piperidin-1-ylpropanamide has a molecular weight of 432.57 g/mol, XLogP of 1.03, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2R,5S,6S)-6-(hydroxymethyl)-5-[(2-pyridin-3-ylacetyl)amino]oxan-2-yl]ethyl]-3-piperidin-1-ylpropanamide is sourced from PubChem (CID 54639295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).