N-[[(2R,3R,4R,5R)-3,4-dihydroxy-5-(2-hydroxy-1-pyridin-2-ylethyl)pyrrolidin-2-yl]methyl]acetamide

C14H21N3O4 — CID 90044302

IUPACN-[[(2R,3R,4R,5R)-3,4-dihydroxy-5-(2-hydroxy-1-pyridin-2-ylethyl)pyrrolidin-2-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1N[C@H](C(CO)c2ccccn2)[C@@H](O)[C@@H]1O
InChIInChI=1S/C14H21N3O4/c1-8(19)16-6-11-13(20)14(21)12(17-11)9(7-18)10-4-2-3-5-15-10/h2-5,9,11-14,17-18,20-21H,6-7H2,1H3,(H,16,19)/t9?,11-,12-,13-,14-/m1/s1
InChIKeyQBVANQHYXJOTKV-OSDLMNRDSA-N
MW295.34 g/mol
LogP-1.64
Rot. Bonds5

About N-[[(2R,3R,4R,5R)-3,4-dihydroxy-5-(2-hydroxy-1-pyridin-2-ylethyl)pyrrolidin-2-yl]methyl]acetamide

N-[[(2R,3R,4R,5R)-3,4-dihydroxy-5-(2-hydroxy-1-pyridin-2-ylethyl)pyrrolidin-2-yl]methyl]acetamide (PubChem CID 90044302) has the molecular formula C14H21N3O4 and a molecular weight of 295.34 g/mol. Its IUPAC name is N-[[(2R,3R,4R,5R)-3,4-dihydroxy-5-(2-hydroxy-1-pyridin-2-ylethyl)pyrrolidin-2-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(2R,3R,4R,5R)-3,4-dihydroxy-5-(2-hydroxy-1-pyridin-2-ylethyl)pyrrolidin-2-yl]methyl]acetamide
PubChem CID90044302
Molecular FormulaC14H21N3O4
Molecular Weight295.34 g/mol
Exact Mass295.15
IUPAC NameN-[[(2R,3R,4R,5R)-3,4-dihydroxy-5-(2-hydroxy-1-pyridin-2-ylethyl)pyrrolidin-2-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1N[C@H](C(CO)c2ccccn2)[C@@H](O)[C@@H]1O
InChIInChI=1S/C14H21N3O4/c1-8(19)16-6-11-13(20)14(21)12(17-11)9(7-18)10-4-2-3-5-15-10/h2-5,9,11-14,17-18,20-21H,6-7H2,1H3,(H,16,19)/t9?,11-,12-,13-,14-/m1/s1
InChIKeyQBVANQHYXJOTKV-OSDLMNRDSA-N
XLogP-1.64
TPSA114.71 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 5-1.64
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-phenyl-2-pyridin-2-ylethyl)acetamide
CID 16927789
N-[[4-(acetamidomethyl)cyclohexyl]-pyridin-2-ylmethyl]cyclobutanecarboxamide
CID 110241999
(3-hydroxy-2-pyridin-2-ylpropyl) acetate
CID 22101011
(3S,4R)-4-hydroxy-3-methyl-4-pyridin-2-ylbutan-2-one
CID 130697576
methyl (2R)-2-amino-2-pyridin-2-ylacetate
CID 86316521
N-[(S)-[4-(acetamidomethyl)cyclohexyl]-pyridin-2-ylmethyl]-2-(3-fluorophenyl)acetamide
CID 98136163
N-[(S)-[4-(acetamidomethyl)cyclohexyl]-pyridin-2-ylmethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 98136166
4-(dimethylamino)-4-pyridin-2-ylbutan-2-one
CID 82125654
N-[[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-1-[(4-pyridin-2-ylphenyl)methyl]pyrrolidin-2-yl]methyl]acetamide
CID 11268740
N-[[3-hydroxy-4-(pyridin-2-ylmethylamino)oxolan-2-yl]methyl]acetamide
CID 162801826
2-(1-pyridin-2-ylpropyl)-1,2-dihydropyridine-3-carbohydrazide
CID 144804009
methyl 2-pyridin-2-yl-3-sulfanylpropanoate
CID 117241525

Frequently Asked Questions

What is the IUPAC name of N-[[(2R,3R,4R,5R)-3,4-dihydroxy-5-(2-hydroxy-1-pyridin-2-ylethyl)pyrrolidin-2-yl]methyl]acetamide?
The IUPAC name of N-[[(2R,3R,4R,5R)-3,4-dihydroxy-5-(2-hydroxy-1-pyridin-2-ylethyl)pyrrolidin-2-yl]methyl]acetamide (CID 90044302) is N-[[(2R,3R,4R,5R)-3,4-dihydroxy-5-(2-hydroxy-1-pyridin-2-ylethyl)pyrrolidin-2-yl]methyl]acetamide.
What is the SMILES notation for N-[[(2R,3R,4R,5R)-3,4-dihydroxy-5-(2-hydroxy-1-pyridin-2-ylethyl)pyrrolidin-2-yl]methyl]acetamide?
The canonical SMILES for N-[[(2R,3R,4R,5R)-3,4-dihydroxy-5-(2-hydroxy-1-pyridin-2-ylethyl)pyrrolidin-2-yl]methyl]acetamide is CC(=O)NC[C@H]1N[C@H](C(CO)c2ccccn2)[C@@H](O)[C@@H]1O.
What is the InChIKey of N-[[(2R,3R,4R,5R)-3,4-dihydroxy-5-(2-hydroxy-1-pyridin-2-ylethyl)pyrrolidin-2-yl]methyl]acetamide?
The InChIKey is QBVANQHYXJOTKV-OSDLMNRDSA-N. The full InChI is InChI=1S/C14H21N3O4/c1-8(19)16-6-11-13(20)14(21)12(17-11)9(7-18)10-4-2-3-5-15-10/h2-5,9,11-14,17-18,20-21H,6-7H2,1H3,(H,16,19)/t9?,11-,12-,13-,14-/m1/s1.
What are the key properties of N-[[(2R,3R,4R,5R)-3,4-dihydroxy-5-(2-hydroxy-1-pyridin-2-ylethyl)pyrrolidin-2-yl]methyl]acetamide?
N-[[(2R,3R,4R,5R)-3,4-dihydroxy-5-(2-hydroxy-1-pyridin-2-ylethyl)pyrrolidin-2-yl]methyl]acetamide has a molecular weight of 295.34 g/mol, XLogP of -1.64, 5 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R,3R,4R,5R)-3,4-dihydroxy-5-(2-hydroxy-1-pyridin-2-ylethyl)pyrrolidin-2-yl]methyl]acetamide is sourced from PubChem (CID 90044302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).