N-[1-(hydroxymethyl)cyclopentyl]-6-oxo-1H-pyrazine-3-carboxamide

C11H15N3O3 — CID 55081859

IUPACN-[1-(hydroxymethyl)cyclopentyl]-6-oxo-1H-pyrazine-3-carboxamide
SMILESO=C(NC1(CO)CCCC1)c1c[nH]c(=O)cn1
InChIInChI=1S/C11H15N3O3/c15-7-11(3-1-2-4-11)14-10(17)8-5-13-9(16)6-12-8/h5-6,15H,1-4,7H2,(H,13,16)(H,14,17)
InChIKeyJXHSWRVDLYNFHG-UHFFFAOYSA-N
MW237.26 g/mol
LogP-0.20
Rot. Bonds3

About N-[1-(hydroxymethyl)cyclopentyl]-6-oxo-1H-pyrazine-3-carboxamide

N-[1-(hydroxymethyl)cyclopentyl]-6-oxo-1H-pyrazine-3-carboxamide (PubChem CID 55081859) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is N-[1-(hydroxymethyl)cyclopentyl]-6-oxo-1H-pyrazine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(hydroxymethyl)cyclopentyl]-6-oxo-1H-pyrazine-3-carboxamide
PubChem CID55081859
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC NameN-[1-(hydroxymethyl)cyclopentyl]-6-oxo-1H-pyrazine-3-carboxamide
SMILESO=C(NC1(CO)CCCC1)c1c[nH]c(=O)cn1
InChIInChI=1S/C11H15N3O3/c15-7-11(3-1-2-4-11)14-10(17)8-5-13-9(16)6-12-8/h5-6,15H,1-4,7H2,(H,13,16)(H,14,17)
InChIKeyJXHSWRVDLYNFHG-UHFFFAOYSA-N
XLogP-0.20
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 5-0.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(hydroxymethyl)cyclopentyl]-6-oxo-1H-pyrazine-3-carboxamide?
The IUPAC name of N-[1-(hydroxymethyl)cyclopentyl]-6-oxo-1H-pyrazine-3-carboxamide (CID 55081859) is N-[1-(hydroxymethyl)cyclopentyl]-6-oxo-1H-pyrazine-3-carboxamide.
What is the SMILES notation for N-[1-(hydroxymethyl)cyclopentyl]-6-oxo-1H-pyrazine-3-carboxamide?
The canonical SMILES for N-[1-(hydroxymethyl)cyclopentyl]-6-oxo-1H-pyrazine-3-carboxamide is O=C(NC1(CO)CCCC1)c1c[nH]c(=O)cn1.
What is the InChIKey of N-[1-(hydroxymethyl)cyclopentyl]-6-oxo-1H-pyrazine-3-carboxamide?
The InChIKey is JXHSWRVDLYNFHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c15-7-11(3-1-2-4-11)14-10(17)8-5-13-9(16)6-12-8/h5-6,15H,1-4,7H2,(H,13,16)(H,14,17).
What are the key properties of N-[1-(hydroxymethyl)cyclopentyl]-6-oxo-1H-pyrazine-3-carboxamide?
N-[1-(hydroxymethyl)cyclopentyl]-6-oxo-1H-pyrazine-3-carboxamide has a molecular weight of 237.26 g/mol, XLogP of -0.20, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(hydroxymethyl)cyclopentyl]-6-oxo-1H-pyrazine-3-carboxamide is sourced from PubChem (CID 55081859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).