N-[(1R,2S,3R,4R)-2,3-dihydroxy-4-(methoxymethyl)cyclopentyl]pyrazine-2-carboxamide

C12H17N3O4 — CID 75529533

IUPACN-[(1R,2S,3R,4R)-2,3-dihydroxy-4-(methoxymethyl)cyclopentyl]pyrazine-2-carboxamide
SMILESCOC[C@H]1C[C@@H](NC(=O)c2cnccn2)[C@H](O)[C@@H]1O
InChIInChI=1S/C12H17N3O4/c1-19-6-7-4-8(11(17)10(7)16)15-12(18)9-5-13-2-3-14-9/h2-3,5,7-8,10-11,16-17H,4,6H2,1H3,(H,15,18)/t7-,8-,10-,11+/m1/s1
InChIKeyDZOVKUKJCLXZRF-OYBPUVFXSA-N
MW267.28 g/mol
LogP-1.04
Rot. Bonds4

About N-[(1R,2S,3R,4R)-2,3-dihydroxy-4-(methoxymethyl)cyclopentyl]pyrazine-2-carboxamide

N-[(1R,2S,3R,4R)-2,3-dihydroxy-4-(methoxymethyl)cyclopentyl]pyrazine-2-carboxamide (PubChem CID 75529533) has the molecular formula C12H17N3O4 and a molecular weight of 267.28 g/mol. Its IUPAC name is N-[(1R,2S,3R,4R)-2,3-dihydroxy-4-(methoxymethyl)cyclopentyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[(1R,2S,3R,4R)-2,3-dihydroxy-4-(methoxymethyl)cyclopentyl]pyrazine-2-carboxamide
PubChem CID75529533
Molecular FormulaC12H17N3O4
Molecular Weight267.28 g/mol
Exact Mass267.12
IUPAC NameN-[(1R,2S,3R,4R)-2,3-dihydroxy-4-(methoxymethyl)cyclopentyl]pyrazine-2-carboxamide
SMILESCOC[C@H]1C[C@@H](NC(=O)c2cnccn2)[C@H](O)[C@@H]1O
InChIInChI=1S/C12H17N3O4/c1-19-6-7-4-8(11(17)10(7)16)15-12(18)9-5-13-2-3-14-9/h2-3,5,7-8,10-11,16-17H,4,6H2,1H3,(H,15,18)/t7-,8-,10-,11+/m1/s1
InChIKeyDZOVKUKJCLXZRF-OYBPUVFXSA-N
XLogP-1.04
TPSA104.57 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 5-1.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[(1R,2S,3R,4R)-2,3-dihydroxy-4-(methoxymethyl)cyclopentyl]pyrazine-2-carboxamide with MolForge

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Related Compounds

N-[(1R,2S,3R,4R)-2,3-dihydroxy-4-(methoxymethyl)cyclopentyl]-4-(trifluoromethyl)benzamide
CID 75529547
N-[2-(aminomethyl)cyclohexyl]pyrazine-2-carboxamide;dihydrochloride
CID 119611743
N-(4,4-dimethylcyclohexyl)pyrazine-2-carboxamide
CID 130233496
[(1R,2R,3S,4R)-2,3-dihydroxy-4-(pyridine-3-carbonylamino)cyclopentyl]methyl sulfamate
CID 59671285
3-(pyrazine-2-carbonylamino)cyclopentane-1-carboxylic acid
CID 66032324
methyl 4-(pyrazine-2-carbonylamino)piperidine-1-carboxylate
CID 110821817
N-(3-methylpiperidin-4-yl)pyrazine-2-carboxamide
CID 120556268
N-[(3R,4R)-1-[(4-ethylphenyl)methyl]-3-hydroxypiperidin-4-yl]pyrazine-2-carboxamide
CID 70706579
N-[(1R,2S)-2-[[(3R)-3-ethoxypiperidin-1-yl]methyl]cyclohexyl]pyrazine-2-carboxamide
CID 59007553
methyl N-[2-(pyrazine-2-carbonylamino)ethyl]carbamate
CID 108574667
N-[(1R,2R,5S)-2-hydroxy-5-[5-(methoxymethyl)-2-pyridin-3-yl-1,2,4-triazol-3-yl]cyclohexyl]pyrazine-2-carboxamide
CID 171158986
N-(2-thiophen-2-ylcyclopropyl)pyrazine-2-carboxamide
CID 110741726

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S,3R,4R)-2,3-dihydroxy-4-(methoxymethyl)cyclopentyl]pyrazine-2-carboxamide?
The IUPAC name of N-[(1R,2S,3R,4R)-2,3-dihydroxy-4-(methoxymethyl)cyclopentyl]pyrazine-2-carboxamide (CID 75529533) is N-[(1R,2S,3R,4R)-2,3-dihydroxy-4-(methoxymethyl)cyclopentyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[(1R,2S,3R,4R)-2,3-dihydroxy-4-(methoxymethyl)cyclopentyl]pyrazine-2-carboxamide?
The canonical SMILES for N-[(1R,2S,3R,4R)-2,3-dihydroxy-4-(methoxymethyl)cyclopentyl]pyrazine-2-carboxamide is COC[C@H]1C[C@@H](NC(=O)c2cnccn2)[C@H](O)[C@@H]1O.
What is the InChIKey of N-[(1R,2S,3R,4R)-2,3-dihydroxy-4-(methoxymethyl)cyclopentyl]pyrazine-2-carboxamide?
The InChIKey is DZOVKUKJCLXZRF-OYBPUVFXSA-N. The full InChI is InChI=1S/C12H17N3O4/c1-19-6-7-4-8(11(17)10(7)16)15-12(18)9-5-13-2-3-14-9/h2-3,5,7-8,10-11,16-17H,4,6H2,1H3,(H,15,18)/t7-,8-,10-,11+/m1/s1.
What are the key properties of N-[(1R,2S,3R,4R)-2,3-dihydroxy-4-(methoxymethyl)cyclopentyl]pyrazine-2-carboxamide?
N-[(1R,2S,3R,4R)-2,3-dihydroxy-4-(methoxymethyl)cyclopentyl]pyrazine-2-carboxamide has a molecular weight of 267.28 g/mol, XLogP of -1.04, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S,3R,4R)-2,3-dihydroxy-4-(methoxymethyl)cyclopentyl]pyrazine-2-carboxamide is sourced from PubChem (CID 75529533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).