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

C19H23N3O5 — CID 75367949

IUPACN-[[(3R,4S)-3,4-dihydroxy-1-(pyrazin-2-yloxymethyl)cyclopentyl]methyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NCC2(COc3cnccn3)C[C@@H](O)[C@@H](O)C2)c1
InChIInChI=1S/C19H23N3O5/c1-26-14-4-2-3-13(7-14)18(25)22-11-19(8-15(23)16(24)9-19)12-27-17-10-20-5-6-21-17/h2-7,10,15-16,23-24H,8-9,11-12H2,1H3,(H,22,25)/t15-,16+,19?
InChIKeyMYRNPUICOFMKKE-MCPYQZEQSA-N
MW373.41 g/mol
LogP0.80
Rot. Bonds7

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

N-[[(3R,4S)-3,4-dihydroxy-1-(pyrazin-2-yloxymethyl)cyclopentyl]methyl]-3-methoxybenzamide (PubChem CID 75367949) has the molecular formula C19H23N3O5 and a molecular weight of 373.41 g/mol. Its IUPAC name is N-[[(3R,4S)-3,4-dihydroxy-1-(pyrazin-2-yloxymethyl)cyclopentyl]methyl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[[(3R,4S)-3,4-dihydroxy-1-(pyrazin-2-yloxymethyl)cyclopentyl]methyl]-3-methoxybenzamide
PubChem CID75367949
Molecular FormulaC19H23N3O5
Molecular Weight373.41 g/mol
Exact Mass373.16
IUPAC NameN-[[(3R,4S)-3,4-dihydroxy-1-(pyrazin-2-yloxymethyl)cyclopentyl]methyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NCC2(COc3cnccn3)C[C@@H](O)[C@@H](O)C2)c1
InChIInChI=1S/C19H23N3O5/c1-26-14-4-2-3-13(7-14)18(25)22-11-19(8-15(23)16(24)9-19)12-27-17-10-20-5-6-21-17/h2-7,10,15-16,23-24H,8-9,11-12H2,1H3,(H,22,25)/t15-,16+,19?
InChIKeyMYRNPUICOFMKKE-MCPYQZEQSA-N
XLogP0.80
TPSA113.80 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 50.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-[[3,4-dihydroxy-1-[(6-methyl-2-pyridinyl)oxymethyl]cyclopentyl]methyl]-3-methoxybenzamide
CID 163027473
N-[[(3S,4R)-3,4-dihydroxy-1-(pyrazin-2-yloxymethyl)cyclopentyl]methyl]-2-phenoxyacetamide
CID 75367952
N-[[(3S,4R)-3,4-dihydroxy-1-(pyrazin-2-yloxymethyl)cyclopentyl]methyl]-5-methyl-1,2-oxazole-3-carboxamide;hydrochloride
CID 146119556
N-[[(3R,4S)-3,4-dihydroxy-1-[(6-methyl-2-pyridinyl)oxymethyl]cyclopentyl]methyl]pyrazine-2-carboxamide
CID 75367843
N-[[3,4-dihydroxy-1-(pyridin-3-yloxymethyl)cyclopentyl]methyl]pyrazine-2-carboxamide
CID 163045429
N-[[1-(chloromethyl)cyclohexyl]methyl]-3-methoxybenzamide
CID 103969532
3-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide;hydrochloride
CID 120890944
N-(2-amino-2-methylpropyl)-3-pyrazin-2-yloxybenzamide
CID 119628152
N-[[1-(dimethylamino)cyclohexyl]methyl]-3-methoxybenzamide;hydrochloride
CID 20994999
N-[2-(ethylamino)ethyl]-3-pyrazin-2-yloxybenzamide
CID 119506992
4-chloro-N-[[(3S,4R)-3,4-dihydroxy-1-(pyrazin-2-yloxymethyl)cyclopentyl]methyl]benzenesulfonamide
CID 75368003
3-methoxy-N-[3-[(3-methoxybenzoyl)amino]propyl]benzamide
CID 2167030

Frequently Asked Questions

What is the IUPAC name of N-[[(3R,4S)-3,4-dihydroxy-1-(pyrazin-2-yloxymethyl)cyclopentyl]methyl]-3-methoxybenzamide?
The IUPAC name of N-[[(3R,4S)-3,4-dihydroxy-1-(pyrazin-2-yloxymethyl)cyclopentyl]methyl]-3-methoxybenzamide (CID 75367949) is N-[[(3R,4S)-3,4-dihydroxy-1-(pyrazin-2-yloxymethyl)cyclopentyl]methyl]-3-methoxybenzamide.
What is the SMILES notation for N-[[(3R,4S)-3,4-dihydroxy-1-(pyrazin-2-yloxymethyl)cyclopentyl]methyl]-3-methoxybenzamide?
The canonical SMILES for N-[[(3R,4S)-3,4-dihydroxy-1-(pyrazin-2-yloxymethyl)cyclopentyl]methyl]-3-methoxybenzamide is COc1cccc(C(=O)NCC2(COc3cnccn3)C[C@@H](O)[C@@H](O)C2)c1.
What is the InChIKey of N-[[(3R,4S)-3,4-dihydroxy-1-(pyrazin-2-yloxymethyl)cyclopentyl]methyl]-3-methoxybenzamide?
The InChIKey is MYRNPUICOFMKKE-MCPYQZEQSA-N. The full InChI is InChI=1S/C19H23N3O5/c1-26-14-4-2-3-13(7-14)18(25)22-11-19(8-15(23)16(24)9-19)12-27-17-10-20-5-6-21-17/h2-7,10,15-16,23-24H,8-9,11-12H2,1H3,(H,22,25)/t15-,16+,19?.
What are the key properties of N-[[(3R,4S)-3,4-dihydroxy-1-(pyrazin-2-yloxymethyl)cyclopentyl]methyl]-3-methoxybenzamide?
N-[[(3R,4S)-3,4-dihydroxy-1-(pyrazin-2-yloxymethyl)cyclopentyl]methyl]-3-methoxybenzamide has a molecular weight of 373.41 g/mol, XLogP of 0.80, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R,4S)-3,4-dihydroxy-1-(pyrazin-2-yloxymethyl)cyclopentyl]methyl]-3-methoxybenzamide is sourced from PubChem (CID 75367949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).