N-[[3,4-dihydroxy-1-(pyrazin-2-yloxymethyl)cyclopentyl]methyl]oxane-4-carboxamide

C17H25N3O5 — CID 118747494

IUPACN-[[3,4-dihydroxy-1-(pyrazin-2-yloxymethyl)cyclopentyl]methyl]oxane-4-carboxamide
SMILESO=C(NCC1(COc2cnccn2)CC(O)C(O)C1)C1CCOCC1
InChIInChI=1S/C17H25N3O5/c21-13-7-17(8-14(13)22,11-25-15-9-18-3-4-19-15)10-20-16(23)12-1-5-24-6-2-12/h3-4,9,12-14,21-22H,1-2,5-8,10-11H2,(H,20,23)
InChIKeyOBIXFZCQVBEFFZ-UHFFFAOYSA-N
MW351.40 g/mol
LogP-0.10
Rot. Bonds6

About N-[[3,4-dihydroxy-1-(pyrazin-2-yloxymethyl)cyclopentyl]methyl]oxane-4-carboxamide

N-[[3,4-dihydroxy-1-(pyrazin-2-yloxymethyl)cyclopentyl]methyl]oxane-4-carboxamide (PubChem CID 118747494) has the molecular formula C17H25N3O5 and a molecular weight of 351.40 g/mol. Its IUPAC name is N-[[3,4-dihydroxy-1-(pyrazin-2-yloxymethyl)cyclopentyl]methyl]oxane-4-carboxamide.

Molecular Properties

Compound NameN-[[3,4-dihydroxy-1-(pyrazin-2-yloxymethyl)cyclopentyl]methyl]oxane-4-carboxamide
PubChem CID118747494
Molecular FormulaC17H25N3O5
Molecular Weight351.40 g/mol
Exact Mass351.18
IUPAC NameN-[[3,4-dihydroxy-1-(pyrazin-2-yloxymethyl)cyclopentyl]methyl]oxane-4-carboxamide
SMILESO=C(NCC1(COc2cnccn2)CC(O)C(O)C1)C1CCOCC1
InChIInChI=1S/C17H25N3O5/c21-13-7-17(8-14(13)22,11-25-15-9-18-3-4-19-15)10-20-16(23)12-1-5-24-6-2-12/h3-4,9,12-14,21-22H,1-2,5-8,10-11H2,(H,20,23)
InChIKeyOBIXFZCQVBEFFZ-UHFFFAOYSA-N
XLogP-0.10
TPSA113.80 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.40
LogP ≤ 5-0.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

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-(pyrazin-2-yloxymethyl)cyclopentyl]methyl]-3-methoxybenzamide
CID 75367949
N-[[(3R,4S)-3,4-dihydroxy-1-[(6-methyl-2-pyridinyl)oxymethyl]cyclopentyl]methyl]pyrazine-2-carboxamide
CID 75367843
4-chloro-N-[[(3S,4R)-3,4-dihydroxy-1-(pyrazin-2-yloxymethyl)cyclopentyl]methyl]benzenesulfonamide
CID 75368003
N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]oxane-4-carboxamide
CID 131911346
N-[[3,4-dihydroxy-1-(pyridin-3-yloxymethyl)cyclopentyl]methyl]pyrazine-2-carboxamide
CID 163045429
cis-(1S,2R)-4-[(oxan-4-ylamino)methyl]-4-(pyridin-3-yloxymethyl)cyclopentane-1,2-diol;dihydrochloride
CID 146119514
N-[[3,4-dihydroxy-1-(2-methoxyethoxymethyl)cyclopentyl]methyl]cyclopentanecarboxamide
CID 162796190
N-(2-pyridin-2-ylethyl)oxane-4-carboxamide
CID 51073128
N-[(1-phenylcyclohexyl)methyl]oxane-4-carboxamide
CID 51078296
N-[[1-(morpholin-4-ylmethyl)cyclopropyl]methyl]pyrazine-2-carboxamide
CID 91957397

Frequently Asked Questions

What is the IUPAC name of N-[[3,4-dihydroxy-1-(pyrazin-2-yloxymethyl)cyclopentyl]methyl]oxane-4-carboxamide?
The IUPAC name of N-[[3,4-dihydroxy-1-(pyrazin-2-yloxymethyl)cyclopentyl]methyl]oxane-4-carboxamide (CID 118747494) is N-[[3,4-dihydroxy-1-(pyrazin-2-yloxymethyl)cyclopentyl]methyl]oxane-4-carboxamide.
What is the SMILES notation for N-[[3,4-dihydroxy-1-(pyrazin-2-yloxymethyl)cyclopentyl]methyl]oxane-4-carboxamide?
The canonical SMILES for N-[[3,4-dihydroxy-1-(pyrazin-2-yloxymethyl)cyclopentyl]methyl]oxane-4-carboxamide is O=C(NCC1(COc2cnccn2)CC(O)C(O)C1)C1CCOCC1.
What is the InChIKey of N-[[3,4-dihydroxy-1-(pyrazin-2-yloxymethyl)cyclopentyl]methyl]oxane-4-carboxamide?
The InChIKey is OBIXFZCQVBEFFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O5/c21-13-7-17(8-14(13)22,11-25-15-9-18-3-4-19-15)10-20-16(23)12-1-5-24-6-2-12/h3-4,9,12-14,21-22H,1-2,5-8,10-11H2,(H,20,23).
What are the key properties of N-[[3,4-dihydroxy-1-(pyrazin-2-yloxymethyl)cyclopentyl]methyl]oxane-4-carboxamide?
N-[[3,4-dihydroxy-1-(pyrazin-2-yloxymethyl)cyclopentyl]methyl]oxane-4-carboxamide has a molecular weight of 351.40 g/mol, XLogP of -0.10, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3,4-dihydroxy-1-(pyrazin-2-yloxymethyl)cyclopentyl]methyl]oxane-4-carboxamide is sourced from PubChem (CID 118747494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).