N-[[(3S,4R)-3,4-dihydroxy-1-(pyrazin-2-yloxymethyl)cyclopentyl]methyl]-2-phenoxyacetamide

C19H23N3O5 — CID 75367952

IUPACN-[[(3S,4R)-3,4-dihydroxy-1-(pyrazin-2-yloxymethyl)cyclopentyl]methyl]-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)NCC1(COc2cnccn2)C[C@@H](O)[C@@H](O)C1
InChIInChI=1S/C19H23N3O5/c23-15-8-19(9-16(15)24,13-27-18-10-20-6-7-21-18)12-22-17(25)11-26-14-4-2-1-3-5-14/h1-7,10,15-16,23-24H,8-9,11-13H2,(H,22,25)/t15-,16+,19?
InChIKeyNNERFCKRIAGEMH-MCPYQZEQSA-N
MW373.41 g/mol
LogP0.55
Rot. Bonds8

About N-[[(3S,4R)-3,4-dihydroxy-1-(pyrazin-2-yloxymethyl)cyclopentyl]methyl]-2-phenoxyacetamide

N-[[(3S,4R)-3,4-dihydroxy-1-(pyrazin-2-yloxymethyl)cyclopentyl]methyl]-2-phenoxyacetamide (PubChem CID 75367952) has the molecular formula C19H23N3O5 and a molecular weight of 373.41 g/mol. Its IUPAC name is N-[[(3S,4R)-3,4-dihydroxy-1-(pyrazin-2-yloxymethyl)cyclopentyl]methyl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[[(3S,4R)-3,4-dihydroxy-1-(pyrazin-2-yloxymethyl)cyclopentyl]methyl]-2-phenoxyacetamide
PubChem CID75367952
Molecular FormulaC19H23N3O5
Molecular Weight373.41 g/mol
Exact Mass373.16
IUPAC NameN-[[(3S,4R)-3,4-dihydroxy-1-(pyrazin-2-yloxymethyl)cyclopentyl]methyl]-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)NCC1(COc2cnccn2)C[C@@H](O)[C@@H](O)C1
InChIInChI=1S/C19H23N3O5/c23-15-8-19(9-16(15)24,13-27-18-10-20-6-7-21-18)12-22-17(25)11-26-14-4-2-1-3-5-14/h1-7,10,15-16,23-24H,8-9,11-13H2,(H,22,25)/t15-,16+,19?
InChIKeyNNERFCKRIAGEMH-MCPYQZEQSA-N
XLogP0.55
TPSA113.80 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 50.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-[[(3R,4S)-3,4-dihydroxy-1-(pyrazin-2-yloxymethyl)cyclopentyl]methyl]-3-methoxybenzamide
CID 75367949
N-[[3,4-dihydroxy-1-(pyridin-3-yloxymethyl)cyclopentyl]methyl]pyrazine-2-carboxamide
CID 163045429
N-[[(3S,4R)-3,4-dihydroxy-1-(pyrazin-2-yloxymethyl)cyclopentyl]methyl]-5-methyl-1,2-oxazole-3-carboxamide;hydrochloride
CID 146119556
N-[[(3S,4R)-3,4-dihydroxy-1-(phenoxymethyl)cyclopentyl]methyl]-1,2-oxazole-5-carboxamide
CID 75368018
4-chloro-N-[[(3S,4R)-3,4-dihydroxy-1-(pyrazin-2-yloxymethyl)cyclopentyl]methyl]benzenesulfonamide
CID 75368003
N-[[(3R,4S)-3,4-dihydroxy-1-[(6-methyl-2-pyridinyl)oxymethyl]cyclopentyl]methyl]pyrazine-2-carboxamide
CID 75367843
N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-2-phenoxyacetamide
CID 110292724
N-[[1-(phenoxymethyl)cyclopropyl]methyl]-3-pyridin-4-ylpropanamide
CID 118782174
N-[[(3R,4S)-3,4-dihydroxy-1-(pyridin-3-yloxymethyl)cyclopentyl]methyl]-1,2-oxazole-5-carboxamide
CID 75368049
N-[[3,4-dihydroxy-1-(phenoxymethyl)cyclopentyl]methyl]-2,5-dimethylpyrazole-3-carboxamide
CID 162796893
N-[3-[(2-phenoxyacetyl)amino]propyl]pyrazine-2-carboxamide
CID 8990873
2-phenoxy-N-[[(1R,5R)-1,3,3-trimethyl-5-[(2-phenoxyacetyl)amino]cyclohexyl]methyl]acetamide
CID 42564040

Frequently Asked Questions

What is the IUPAC name of N-[[(3S,4R)-3,4-dihydroxy-1-(pyrazin-2-yloxymethyl)cyclopentyl]methyl]-2-phenoxyacetamide?
The IUPAC name of N-[[(3S,4R)-3,4-dihydroxy-1-(pyrazin-2-yloxymethyl)cyclopentyl]methyl]-2-phenoxyacetamide (CID 75367952) is N-[[(3S,4R)-3,4-dihydroxy-1-(pyrazin-2-yloxymethyl)cyclopentyl]methyl]-2-phenoxyacetamide.
What is the SMILES notation for N-[[(3S,4R)-3,4-dihydroxy-1-(pyrazin-2-yloxymethyl)cyclopentyl]methyl]-2-phenoxyacetamide?
The canonical SMILES for N-[[(3S,4R)-3,4-dihydroxy-1-(pyrazin-2-yloxymethyl)cyclopentyl]methyl]-2-phenoxyacetamide is O=C(COc1ccccc1)NCC1(COc2cnccn2)C[C@@H](O)[C@@H](O)C1.
What is the InChIKey of N-[[(3S,4R)-3,4-dihydroxy-1-(pyrazin-2-yloxymethyl)cyclopentyl]methyl]-2-phenoxyacetamide?
The InChIKey is NNERFCKRIAGEMH-MCPYQZEQSA-N. The full InChI is InChI=1S/C19H23N3O5/c23-15-8-19(9-16(15)24,13-27-18-10-20-6-7-21-18)12-22-17(25)11-26-14-4-2-1-3-5-14/h1-7,10,15-16,23-24H,8-9,11-13H2,(H,22,25)/t15-,16+,19?.
What are the key properties of N-[[(3S,4R)-3,4-dihydroxy-1-(pyrazin-2-yloxymethyl)cyclopentyl]methyl]-2-phenoxyacetamide?
N-[[(3S,4R)-3,4-dihydroxy-1-(pyrazin-2-yloxymethyl)cyclopentyl]methyl]-2-phenoxyacetamide has a molecular weight of 373.41 g/mol, XLogP of 0.55, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S,4R)-3,4-dihydroxy-1-(pyrazin-2-yloxymethyl)cyclopentyl]methyl]-2-phenoxyacetamide is sourced from PubChem (CID 75367952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).