2-[(2R,3R,4S,5R)-5-(aminomethyl)-3,4-dihydroxyoxolan-2-yl]-N-(pyridin-3-ylmethyl)acetamide

C13H19N3O4 — CID 163134585

IUPAC2-[(2R,3R,4S,5R)-5-(aminomethyl)-3,4-dihydroxyoxolan-2-yl]-N-(pyridin-3-ylmethyl)acetamide
SMILESNC[C@H]1O[C@H](CC(=O)NCc2cccnc2)[C@H](O)[C@@H]1O
InChIInChI=1S/C13H19N3O4/c14-5-10-13(19)12(18)9(20-10)4-11(17)16-7-8-2-1-3-15-6-8/h1-3,6,9-10,12-13,18-19H,4-5,7,14H2,(H,16,17)/t9-,10-,12+,13-/m1/s1
InChIKeyHLNPTENLHIKBRQ-VCDKRKBESA-N
MW281.31 g/mol
LogP-1.46
Rot. Bonds5

About 2-[(2R,3R,4S,5R)-5-(aminomethyl)-3,4-dihydroxyoxolan-2-yl]-N-(pyridin-3-ylmethyl)acetamide

2-[(2R,3R,4S,5R)-5-(aminomethyl)-3,4-dihydroxyoxolan-2-yl]-N-(pyridin-3-ylmethyl)acetamide (PubChem CID 163134585) has the molecular formula C13H19N3O4 and a molecular weight of 281.31 g/mol. Its IUPAC name is 2-[(2R,3R,4S,5R)-5-(aminomethyl)-3,4-dihydroxyoxolan-2-yl]-N-(pyridin-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[(2R,3R,4S,5R)-5-(aminomethyl)-3,4-dihydroxyoxolan-2-yl]-N-(pyridin-3-ylmethyl)acetamide
PubChem CID163134585
Molecular FormulaC13H19N3O4
Molecular Weight281.31 g/mol
Exact Mass281.14
IUPAC Name2-[(2R,3R,4S,5R)-5-(aminomethyl)-3,4-dihydroxyoxolan-2-yl]-N-(pyridin-3-ylmethyl)acetamide
SMILESNC[C@H]1O[C@H](CC(=O)NCc2cccnc2)[C@H](O)[C@@H]1O
InChIInChI=1S/C13H19N3O4/c14-5-10-13(19)12(18)9(20-10)4-11(17)16-7-8-2-1-3-15-6-8/h1-3,6,9-10,12-13,18-19H,4-5,7,14H2,(H,16,17)/t9-,10-,12+,13-/m1/s1
InChIKeyHLNPTENLHIKBRQ-VCDKRKBESA-N
XLogP-1.46
TPSA117.70 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 5-1.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3,4-dihydroxy-5-[(propan-2-ylcarbamoylamino)methyl]oxolan-2-yl]-N-(pyridin-3-ylmethyl)acetamide
CID 74735286
N-[[(2S,3S,4R,5S)-3,4-dihydroxy-5-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]oxolan-2-yl]methyl]-2-ethylbutanamide
CID 162965648
2-[(2S,3R,4S,5S)-3,4-dihydroxy-5-[[(4-methylphenyl)carbamoylamino]methyl]oxolan-2-yl]-N-(pyridin-3-ylmethyl)acetamide
CID 162942227
N-[[(2S,3S,4R,5S)-3,4-dihydroxy-5-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]oxolan-2-yl]methyl]-4-(dimethylamino)benzamide
CID 162808102
2-[5-[(2,3-dihydro-1H-inden-2-ylamino)methyl]-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-2-yl]-N-(pyridin-3-ylmethyl)acetamide
CID 162790503
3-oxo-3-phenyl-N-(pyridin-3-ylmethyl)propanamide
CID 102234842
3-(cyclopentylamino)-N-(pyridin-3-ylmethyl)propanamide
CID 109013619
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(pyridin-3-ylmethyl)acetamide
CID 79607003
2-(2,5-dioxoimidazolidin-4-yl)-N-(pyridin-3-ylmethyl)acetamide
CID 47150142
N-(pyridin-3-ylmethyl)carbamate
CID 19082872
ethyl 3-oxo-3-(pyridin-3-ylmethylamino)propanoate
CID 110465393
3-(aminomethyl)-N-(pyridin-3-ylmethyl)pentanamide
CID 81071444

Frequently Asked Questions

What is the IUPAC name of 2-[(2R,3R,4S,5R)-5-(aminomethyl)-3,4-dihydroxyoxolan-2-yl]-N-(pyridin-3-ylmethyl)acetamide?
The IUPAC name of 2-[(2R,3R,4S,5R)-5-(aminomethyl)-3,4-dihydroxyoxolan-2-yl]-N-(pyridin-3-ylmethyl)acetamide (CID 163134585) is 2-[(2R,3R,4S,5R)-5-(aminomethyl)-3,4-dihydroxyoxolan-2-yl]-N-(pyridin-3-ylmethyl)acetamide.
What is the SMILES notation for 2-[(2R,3R,4S,5R)-5-(aminomethyl)-3,4-dihydroxyoxolan-2-yl]-N-(pyridin-3-ylmethyl)acetamide?
The canonical SMILES for 2-[(2R,3R,4S,5R)-5-(aminomethyl)-3,4-dihydroxyoxolan-2-yl]-N-(pyridin-3-ylmethyl)acetamide is NC[C@H]1O[C@H](CC(=O)NCc2cccnc2)[C@H](O)[C@@H]1O.
What is the InChIKey of 2-[(2R,3R,4S,5R)-5-(aminomethyl)-3,4-dihydroxyoxolan-2-yl]-N-(pyridin-3-ylmethyl)acetamide?
The InChIKey is HLNPTENLHIKBRQ-VCDKRKBESA-N. The full InChI is InChI=1S/C13H19N3O4/c14-5-10-13(19)12(18)9(20-10)4-11(17)16-7-8-2-1-3-15-6-8/h1-3,6,9-10,12-13,18-19H,4-5,7,14H2,(H,16,17)/t9-,10-,12+,13-/m1/s1.
What are the key properties of 2-[(2R,3R,4S,5R)-5-(aminomethyl)-3,4-dihydroxyoxolan-2-yl]-N-(pyridin-3-ylmethyl)acetamide?
2-[(2R,3R,4S,5R)-5-(aminomethyl)-3,4-dihydroxyoxolan-2-yl]-N-(pyridin-3-ylmethyl)acetamide has a molecular weight of 281.31 g/mol, XLogP of -1.46, 5 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)-5-(aminomethyl)-3,4-dihydroxyoxolan-2-yl]-N-(pyridin-3-ylmethyl)acetamide is sourced from PubChem (CID 163134585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).