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

C17H20N4O4 — CID 163045429

IUPACN-[[3,4-dihydroxy-1-(pyridin-3-yloxymethyl)cyclopentyl]methyl]pyrazine-2-carboxamide
SMILESO=C(NCC1(COc2cccnc2)CC(O)C(O)C1)c1cnccn1
InChIInChI=1S/C17H20N4O4/c22-14-6-17(7-15(14)23,11-25-12-2-1-3-18-8-12)10-21-16(24)13-9-19-4-5-20-13/h1-5,8-9,14-15,22-23H,6-7,10-11H2,(H,21,24)
InChIKeyAJSVKLQWGYIIHE-UHFFFAOYSA-N
MW344.37 g/mol
LogP0.18
Rot. Bonds6

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

N-[[3,4-dihydroxy-1-(pyridin-3-yloxymethyl)cyclopentyl]methyl]pyrazine-2-carboxamide (PubChem CID 163045429) has the molecular formula C17H20N4O4 and a molecular weight of 344.37 g/mol. Its IUPAC name is N-[[3,4-dihydroxy-1-(pyridin-3-yloxymethyl)cyclopentyl]methyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[[3,4-dihydroxy-1-(pyridin-3-yloxymethyl)cyclopentyl]methyl]pyrazine-2-carboxamide
PubChem CID163045429
Molecular FormulaC17H20N4O4
Molecular Weight344.37 g/mol
Exact Mass344.15
IUPAC NameN-[[3,4-dihydroxy-1-(pyridin-3-yloxymethyl)cyclopentyl]methyl]pyrazine-2-carboxamide
SMILESO=C(NCC1(COc2cccnc2)CC(O)C(O)C1)c1cnccn1
InChIInChI=1S/C17H20N4O4/c22-14-6-17(7-15(14)23,11-25-12-2-1-3-18-8-12)10-21-16(24)13-9-19-4-5-20-13/h1-5,8-9,14-15,22-23H,6-7,10-11H2,(H,21,24)
InChIKeyAJSVKLQWGYIIHE-UHFFFAOYSA-N
XLogP0.18
TPSA117.46 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 50.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-[[(3R,4S)-3,4-dihydroxy-1-(pyridin-3-yloxymethyl)cyclopentyl]methyl]-1,2-oxazole-5-carboxamide
CID 75368049
N-[[(3R,4S)-3,4-dihydroxy-1-[(6-methyl-2-pyridinyl)oxymethyl]cyclopentyl]methyl]pyrazine-2-carboxamide
CID 75367843
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-(pyrazin-2-yloxymethyl)cyclopentyl]methyl]-2-phenoxyacetamide
CID 75367952
N-[[(3R,4S)-3,4-dihydroxy-1-(pyrazin-2-yloxymethyl)cyclopentyl]methyl]-3-methoxybenzamide
CID 75367949
cis-(1S,2R)-4-[(oxan-4-ylamino)methyl]-4-(pyridin-3-yloxymethyl)cyclopentane-1,2-diol;dihydrochloride
CID 146119514
4-[(dimethylamino)methyl]-4-(pyridin-3-yloxymethyl)cyclopentane-1,2-diol
CID 162796182
N-[[1-(hydroxymethyl)cyclobutyl]methyl]pyrazine-2-carboxamide
CID 91954428
N-[[3,4-dihydroxy-1-(phenoxymethyl)cyclopentyl]methyl]-2,5-dimethylpyrazole-3-carboxamide
CID 162796893
N-[[1-(morpholin-4-ylmethyl)cyclopropyl]methyl]pyrazine-2-carboxamide
CID 91957397
N-[[3,4-dihydroxy-1-(pyrazin-2-yloxymethyl)cyclopentyl]methyl]oxane-4-carboxamide
CID 118747494
N-[(1-piperidin-1-ylcyclohexyl)methyl]pyrazine-2-carboxamide
CID 17447495

Frequently Asked Questions

What is the IUPAC name of N-[[3,4-dihydroxy-1-(pyridin-3-yloxymethyl)cyclopentyl]methyl]pyrazine-2-carboxamide?
The IUPAC name of N-[[3,4-dihydroxy-1-(pyridin-3-yloxymethyl)cyclopentyl]methyl]pyrazine-2-carboxamide (CID 163045429) is N-[[3,4-dihydroxy-1-(pyridin-3-yloxymethyl)cyclopentyl]methyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[[3,4-dihydroxy-1-(pyridin-3-yloxymethyl)cyclopentyl]methyl]pyrazine-2-carboxamide?
The canonical SMILES for N-[[3,4-dihydroxy-1-(pyridin-3-yloxymethyl)cyclopentyl]methyl]pyrazine-2-carboxamide is O=C(NCC1(COc2cccnc2)CC(O)C(O)C1)c1cnccn1.
What is the InChIKey of N-[[3,4-dihydroxy-1-(pyridin-3-yloxymethyl)cyclopentyl]methyl]pyrazine-2-carboxamide?
The InChIKey is AJSVKLQWGYIIHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O4/c22-14-6-17(7-15(14)23,11-25-12-2-1-3-18-8-12)10-21-16(24)13-9-19-4-5-20-13/h1-5,8-9,14-15,22-23H,6-7,10-11H2,(H,21,24).
What are the key properties of N-[[3,4-dihydroxy-1-(pyridin-3-yloxymethyl)cyclopentyl]methyl]pyrazine-2-carboxamide?
N-[[3,4-dihydroxy-1-(pyridin-3-yloxymethyl)cyclopentyl]methyl]pyrazine-2-carboxamide has a molecular weight of 344.37 g/mol, XLogP of 0.18, 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-(pyridin-3-yloxymethyl)cyclopentyl]methyl]pyrazine-2-carboxamide is sourced from PubChem (CID 163045429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).