N-[[1-(hydroxymethyl)cyclobutyl]methyl]pyrazine-2-carboxamide

C11H15N3O2 — CID 91954428

IUPACN-[[1-(hydroxymethyl)cyclobutyl]methyl]pyrazine-2-carboxamide
SMILESO=C(NCC1(CO)CCC1)c1cnccn1
InChIInChI=1S/C11H15N3O2/c15-8-11(2-1-3-11)7-14-10(16)9-6-12-4-5-13-9/h4-6,15H,1-3,7-8H2,(H,14,16)
InChIKeyVSBFICCCCZFDOY-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.37
Rot. Bonds4

About N-[[1-(hydroxymethyl)cyclobutyl]methyl]pyrazine-2-carboxamide

N-[[1-(hydroxymethyl)cyclobutyl]methyl]pyrazine-2-carboxamide (PubChem CID 91954428) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is N-[[1-(hydroxymethyl)cyclobutyl]methyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[[1-(hydroxymethyl)cyclobutyl]methyl]pyrazine-2-carboxamide
PubChem CID91954428
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC NameN-[[1-(hydroxymethyl)cyclobutyl]methyl]pyrazine-2-carboxamide
SMILESO=C(NCC1(CO)CCC1)c1cnccn1
InChIInChI=1S/C11H15N3O2/c15-8-11(2-1-3-11)7-14-10(16)9-6-12-4-5-13-9/h4-6,15H,1-3,7-8H2,(H,14,16)
InChIKeyVSBFICCCCZFDOY-UHFFFAOYSA-N
XLogP0.37
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-piperidin-1-ylcyclohexyl)methyl]pyrazine-2-carboxamide
CID 17447495
N-[1-(hydroxymethyl)cyclopentyl]pyrazine-2-carboxamide
CID 62519593
N-[[1-(4-fluorophenyl)cyclopentyl]methyl]pyrazine-2-carboxamide
CID 47042253
N-[(4-hydroxyoxan-4-yl)methyl]pyrazine-2-carboxamide
CID 79039942
N-(2-hydroxyethyl)pyrazine-2-carboxamide
CID 14230272
N-[[1-(morpholin-4-ylmethyl)cyclopropyl]methyl]pyrazine-2-carboxamide
CID 91957397
[1-[(pyrazin-2-ylamino)methyl]cyclopentyl]methanol
CID 115360623
3-fluoro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]pyridine-4-carboxamide
CID 115362736
N-[[1-(hydroxymethyl)cyclohexyl]methyl]-1,2,5-thiadiazole-3-carboxamide
CID 112699813
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-5-(trifluoromethyl)pyridine-2-carboxamide
CID 116547155
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-methoxypyridine-4-carboxamide
CID 105063923
N-[[3,4-dihydroxy-1-(pyridin-3-yloxymethyl)cyclopentyl]methyl]pyrazine-2-carboxamide
CID 163045429

Frequently Asked Questions

What is the IUPAC name of N-[[1-(hydroxymethyl)cyclobutyl]methyl]pyrazine-2-carboxamide?
The IUPAC name of N-[[1-(hydroxymethyl)cyclobutyl]methyl]pyrazine-2-carboxamide (CID 91954428) is N-[[1-(hydroxymethyl)cyclobutyl]methyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[[1-(hydroxymethyl)cyclobutyl]methyl]pyrazine-2-carboxamide?
The canonical SMILES for N-[[1-(hydroxymethyl)cyclobutyl]methyl]pyrazine-2-carboxamide is O=C(NCC1(CO)CCC1)c1cnccn1.
What is the InChIKey of N-[[1-(hydroxymethyl)cyclobutyl]methyl]pyrazine-2-carboxamide?
The InChIKey is VSBFICCCCZFDOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c15-8-11(2-1-3-11)7-14-10(16)9-6-12-4-5-13-9/h4-6,15H,1-3,7-8H2,(H,14,16).
What are the key properties of N-[[1-(hydroxymethyl)cyclobutyl]methyl]pyrazine-2-carboxamide?
N-[[1-(hydroxymethyl)cyclobutyl]methyl]pyrazine-2-carboxamide has a molecular weight of 221.26 g/mol, XLogP of 0.37, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(hydroxymethyl)cyclobutyl]methyl]pyrazine-2-carboxamide is sourced from PubChem (CID 91954428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).