N-[3-(dimethylamino)propyl]-2-[(2R,5R,6R)-6-(hydroxymethyl)-5-[(2-pyridin-3-ylacetyl)amino]oxan-2-yl]acetamide

C20H32N4O4 — CID 54640055

IUPACN-[3-(dimethylamino)propyl]-2-[(2R,5R,6R)-6-(hydroxymethyl)-5-[(2-pyridin-3-ylacetyl)amino]oxan-2-yl]acetamide
SMILESCN(C)CCCNC(=O)C[C@H]1CC[C@@H](NC(=O)Cc2cccnc2)[C@H](CO)O1
InChIInChI=1S/C20H32N4O4/c1-24(2)10-4-9-22-19(26)12-16-6-7-17(18(14-25)28-16)23-20(27)11-15-5-3-8-21-13-15/h3,5,8,13,16-18,25H,4,6-7,9-12,14H2,1-2H3,(H,22,26)(H,23,27)/t16-,17-,18+/m1/s1
InChIKeyIHGRXRHOBYYXJU-KURKYZTESA-N
MW392.50 g/mol
LogP0.11
Rot. Bonds10

About N-[3-(dimethylamino)propyl]-2-[(2R,5R,6R)-6-(hydroxymethyl)-5-[(2-pyridin-3-ylacetyl)amino]oxan-2-yl]acetamide

N-[3-(dimethylamino)propyl]-2-[(2R,5R,6R)-6-(hydroxymethyl)-5-[(2-pyridin-3-ylacetyl)amino]oxan-2-yl]acetamide (PubChem CID 54640055) has the molecular formula C20H32N4O4 and a molecular weight of 392.50 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-2-[(2R,5R,6R)-6-(hydroxymethyl)-5-[(2-pyridin-3-ylacetyl)amino]oxan-2-yl]acetamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-2-[(2R,5R,6R)-6-(hydroxymethyl)-5-[(2-pyridin-3-ylacetyl)amino]oxan-2-yl]acetamide
PubChem CID54640055
Molecular FormulaC20H32N4O4
Molecular Weight392.50 g/mol
Exact Mass392.24
IUPAC NameN-[3-(dimethylamino)propyl]-2-[(2R,5R,6R)-6-(hydroxymethyl)-5-[(2-pyridin-3-ylacetyl)amino]oxan-2-yl]acetamide
SMILESCN(C)CCCNC(=O)C[C@H]1CC[C@@H](NC(=O)Cc2cccnc2)[C@H](CO)O1
InChIInChI=1S/C20H32N4O4/c1-24(2)10-4-9-22-19(26)12-16-6-7-17(18(14-25)28-16)23-20(27)11-15-5-3-8-21-13-15/h3,5,8,13,16-18,25H,4,6-7,9-12,14H2,1-2H3,(H,22,26)(H,23,27)/t16-,17-,18+/m1/s1
InChIKeyIHGRXRHOBYYXJU-KURKYZTESA-N
XLogP0.11
TPSA103.79 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 50.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[(2R,5R,6S)-6-(hydroxymethyl)-5-[(2-pyridin-3-ylacetyl)amino]oxan-2-yl]-N-(4-phenylphenyl)acetamide
CID 54639138
2-[(2S,5R,6R)-6-(hydroxymethyl)-5-[(2-pyridin-3-ylacetyl)amino]oxan-2-yl]-N-(4-phenylphenyl)acetamide
CID 54639142
N-[3-(dimethylamino)propyl]-2-[(2R,5S,6S)-6-(hydroxymethyl)-5-(propan-2-ylcarbamoylamino)oxan-2-yl]acetamide
CID 54639387
N-[2-[(2R,5S,6S)-6-(hydroxymethyl)-5-[(2-pyridin-3-ylacetyl)amino]oxan-2-yl]ethyl]-3-piperidin-1-ylpropanamide
CID 54639295
N-[3-(dimethylamino)propyl]-2-[(2R,5S,6S)-5-[(4-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)oxan-2-yl]acetamide
CID 54643763
2-[(2S,5S,6S)-6-(hydroxymethyl)-5-[(2-pyridin-2-ylacetyl)amino]oxan-2-yl]-N-(2-pyridin-4-ylethyl)acetamide
CID 54638994
N-[3-(dimethylamino)propyl]-4-pyridin-3-ylbutanamide
CID 110408294
N-[(2R,3R,6R)-2-(hydroxymethyl)-6-[2-oxo-2-(2-pyridin-4-ylethylamino)ethyl]oxan-3-yl]pyridine-4-carboxamide
CID 54641546
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-[(2R,5S,6R)-6-(hydroxymethyl)-5-[(2-morpholin-4-ylacetyl)amino]oxan-2-yl]-N-(2-phenylethyl)acetamide
CID 54643037
N-[(2R,3S,6S)-6-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-2-(hydroxymethyl)oxan-3-yl]pyrazine-2-carboxamide
CID 54640884
N-[(2S,3S,6R)-2-(hydroxymethyl)-6-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]oxan-3-yl]cyclobutanecarboxamide
CID 54645066

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-2-[(2R,5R,6R)-6-(hydroxymethyl)-5-[(2-pyridin-3-ylacetyl)amino]oxan-2-yl]acetamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-2-[(2R,5R,6R)-6-(hydroxymethyl)-5-[(2-pyridin-3-ylacetyl)amino]oxan-2-yl]acetamide (CID 54640055) is N-[3-(dimethylamino)propyl]-2-[(2R,5R,6R)-6-(hydroxymethyl)-5-[(2-pyridin-3-ylacetyl)amino]oxan-2-yl]acetamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-2-[(2R,5R,6R)-6-(hydroxymethyl)-5-[(2-pyridin-3-ylacetyl)amino]oxan-2-yl]acetamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-2-[(2R,5R,6R)-6-(hydroxymethyl)-5-[(2-pyridin-3-ylacetyl)amino]oxan-2-yl]acetamide is CN(C)CCCNC(=O)C[C@H]1CC[C@@H](NC(=O)Cc2cccnc2)[C@H](CO)O1.
What is the InChIKey of N-[3-(dimethylamino)propyl]-2-[(2R,5R,6R)-6-(hydroxymethyl)-5-[(2-pyridin-3-ylacetyl)amino]oxan-2-yl]acetamide?
The InChIKey is IHGRXRHOBYYXJU-KURKYZTESA-N. The full InChI is InChI=1S/C20H32N4O4/c1-24(2)10-4-9-22-19(26)12-16-6-7-17(18(14-25)28-16)23-20(27)11-15-5-3-8-21-13-15/h3,5,8,13,16-18,25H,4,6-7,9-12,14H2,1-2H3,(H,22,26)(H,23,27)/t16-,17-,18+/m1/s1.
What are the key properties of N-[3-(dimethylamino)propyl]-2-[(2R,5R,6R)-6-(hydroxymethyl)-5-[(2-pyridin-3-ylacetyl)amino]oxan-2-yl]acetamide?
N-[3-(dimethylamino)propyl]-2-[(2R,5R,6R)-6-(hydroxymethyl)-5-[(2-pyridin-3-ylacetyl)amino]oxan-2-yl]acetamide has a molecular weight of 392.50 g/mol, XLogP of 0.11, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-2-[(2R,5R,6R)-6-(hydroxymethyl)-5-[(2-pyridin-3-ylacetyl)amino]oxan-2-yl]acetamide is sourced from PubChem (CID 54640055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).