2-[(2R,3R,4S,5R)-3,4-dihydroxy-5-[(pyridin-2-ylmethylamino)methyl]oxolan-2-yl]-N-propan-2-ylacetamide

C16H25N3O4 — CID 163054151

IUPAC2-[(2R,3R,4S,5R)-3,4-dihydroxy-5-[(pyridin-2-ylmethylamino)methyl]oxolan-2-yl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)C[C@H]1O[C@H](CNCc2ccccn2)[C@@H](O)[C@H]1O
InChIInChI=1S/C16H25N3O4/c1-10(2)19-14(20)7-12-15(21)16(22)13(23-12)9-17-8-11-5-3-4-6-18-11/h3-6,10,12-13,15-17,21-22H,7-9H2,1-2H3,(H,19,20)/t12-,13-,15+,16-/m1/s1
InChIKeyIZGLJFGRSOUIAV-LUYZLQTOSA-N
MW323.39 g/mol
LogP-0.42
Rot. Bonds7

About 2-[(2R,3R,4S,5R)-3,4-dihydroxy-5-[(pyridin-2-ylmethylamino)methyl]oxolan-2-yl]-N-propan-2-ylacetamide

2-[(2R,3R,4S,5R)-3,4-dihydroxy-5-[(pyridin-2-ylmethylamino)methyl]oxolan-2-yl]-N-propan-2-ylacetamide (PubChem CID 163054151) has the molecular formula C16H25N3O4 and a molecular weight of 323.39 g/mol. Its IUPAC name is 2-[(2R,3R,4S,5R)-3,4-dihydroxy-5-[(pyridin-2-ylmethylamino)methyl]oxolan-2-yl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[(2R,3R,4S,5R)-3,4-dihydroxy-5-[(pyridin-2-ylmethylamino)methyl]oxolan-2-yl]-N-propan-2-ylacetamide
PubChem CID163054151
Molecular FormulaC16H25N3O4
Molecular Weight323.39 g/mol
Exact Mass323.18
IUPAC Name2-[(2R,3R,4S,5R)-3,4-dihydroxy-5-[(pyridin-2-ylmethylamino)methyl]oxolan-2-yl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)C[C@H]1O[C@H](CNCc2ccccn2)[C@@H](O)[C@H]1O
InChIInChI=1S/C16H25N3O4/c1-10(2)19-14(20)7-12-15(21)16(22)13(23-12)9-17-8-11-5-3-4-6-18-11/h3-6,10,12-13,15-17,21-22H,7-9H2,1-2H3,(H,19,20)/t12-,13-,15+,16-/m1/s1
InChIKeyIZGLJFGRSOUIAV-LUYZLQTOSA-N
XLogP-0.42
TPSA103.71 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 5-0.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(2S,3R,4S,5R)-3,4-dihydroxy-5-[(pyridin-2-ylmethylamino)methyl]oxolan-2-yl]-N-prop-2-ynylacetamide
CID 40778239
2-[(2S,3R,4S,5R)-3,4-dihydroxy-5-[(pyridin-2-ylmethylamino)methyl]oxolan-2-yl]-N-(2-methoxyethyl)acetamide
CID 26744644
2-[(2S,3R,4S,5R)-3,4-dihydroxy-5-[(pyridin-2-ylmethylamino)methyl]oxolan-2-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 26744662
2-[3,4-dihydroxy-5-[(propan-2-ylcarbamoylamino)methyl]oxolan-2-yl]-N-(pyridin-3-ylmethyl)acetamide
CID 74735286
2-[(2S,3R,4S,5S)-3,4-dihydroxy-5-[[(4-methylphenyl)carbamoylamino]methyl]oxolan-2-yl]-N-propan-2-ylacetamide
CID 162946478
2-[(2S,3R,4S,5R)-5-[[(2,4-difluorophenyl)carbamoylamino]methyl]-3,4-dihydroxyoxolan-2-yl]-N-propan-2-ylacetamide
CID 40781493
2-(hydroxymethyl)-4-(4-methylpiperazin-1-yl)-5-[(pyridin-2-ylmethylamino)methyl]oxolan-3-ol
CID 74577984
methyl 2-methyl-3-(pyridin-2-ylmethylamino)propanoate
CID 43398410
(2S,3S,4R,5R)-2-(hydroxymethyl)-4-(4-methylpiperidin-1-yl)-5-[(pyridin-2-ylmethylamino)methyl]oxolan-3-ol
CID 28962394
2-methyl-N-(pyridin-2-ylmethyl)propan-1-amine;hydrochloride
CID 17332283
2-[5-[[(2-chlorophenyl)methylamino]methyl]-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-2-yl]-N-propan-2-ylacetamide
CID 162793220
N-(3-methylbutyl)-2-(pyridin-2-ylmethylamino)acetamide
CID 60671493

Frequently Asked Questions

What is the IUPAC name of 2-[(2R,3R,4S,5R)-3,4-dihydroxy-5-[(pyridin-2-ylmethylamino)methyl]oxolan-2-yl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[(2R,3R,4S,5R)-3,4-dihydroxy-5-[(pyridin-2-ylmethylamino)methyl]oxolan-2-yl]-N-propan-2-ylacetamide (CID 163054151) is 2-[(2R,3R,4S,5R)-3,4-dihydroxy-5-[(pyridin-2-ylmethylamino)methyl]oxolan-2-yl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[(2R,3R,4S,5R)-3,4-dihydroxy-5-[(pyridin-2-ylmethylamino)methyl]oxolan-2-yl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[(2R,3R,4S,5R)-3,4-dihydroxy-5-[(pyridin-2-ylmethylamino)methyl]oxolan-2-yl]-N-propan-2-ylacetamide is CC(C)NC(=O)C[C@H]1O[C@H](CNCc2ccccn2)[C@@H](O)[C@H]1O.
What is the InChIKey of 2-[(2R,3R,4S,5R)-3,4-dihydroxy-5-[(pyridin-2-ylmethylamino)methyl]oxolan-2-yl]-N-propan-2-ylacetamide?
The InChIKey is IZGLJFGRSOUIAV-LUYZLQTOSA-N. The full InChI is InChI=1S/C16H25N3O4/c1-10(2)19-14(20)7-12-15(21)16(22)13(23-12)9-17-8-11-5-3-4-6-18-11/h3-6,10,12-13,15-17,21-22H,7-9H2,1-2H3,(H,19,20)/t12-,13-,15+,16-/m1/s1.
What are the key properties of 2-[(2R,3R,4S,5R)-3,4-dihydroxy-5-[(pyridin-2-ylmethylamino)methyl]oxolan-2-yl]-N-propan-2-ylacetamide?
2-[(2R,3R,4S,5R)-3,4-dihydroxy-5-[(pyridin-2-ylmethylamino)methyl]oxolan-2-yl]-N-propan-2-ylacetamide has a molecular weight of 323.39 g/mol, XLogP of -0.42, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,3R,4S,5R)-3,4-dihydroxy-5-[(pyridin-2-ylmethylamino)methyl]oxolan-2-yl]-N-propan-2-ylacetamide is sourced from PubChem (CID 163054151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).