N-[(3-hydroxycyclobutyl)methyl]-5-methylpyrazine-2-carboxamide

C11H15N3O2 — CID 66005550

IUPACN-[(3-hydroxycyclobutyl)methyl]-5-methylpyrazine-2-carboxamide
SMILESCc1cnc(C(=O)NCC2CC(O)C2)cn1
InChIInChI=1S/C11H15N3O2/c1-7-4-13-10(6-12-7)11(16)14-5-8-2-9(15)3-8/h4,6,8-9,15H,2-3,5H2,1H3,(H,14,16)
InChIKeyZGBAEHBULASMTP-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.29
Rot. Bonds3

About N-[(3-hydroxycyclobutyl)methyl]-5-methylpyrazine-2-carboxamide

N-[(3-hydroxycyclobutyl)methyl]-5-methylpyrazine-2-carboxamide (PubChem CID 66005550) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is N-[(3-hydroxycyclobutyl)methyl]-5-methylpyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[(3-hydroxycyclobutyl)methyl]-5-methylpyrazine-2-carboxamide
PubChem CID66005550
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC NameN-[(3-hydroxycyclobutyl)methyl]-5-methylpyrazine-2-carboxamide
SMILESCc1cnc(C(=O)NCC2CC(O)C2)cn1
InChIInChI=1S/C11H15N3O2/c1-7-4-13-10(6-12-7)11(16)14-5-8-2-9(15)3-8/h4,6,8-9,15H,2-3,5H2,1H3,(H,14,16)
InChIKeyZGBAEHBULASMTP-UHFFFAOYSA-N
XLogP0.29
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(cyclohexylmethyl)-5-methylpyrazine-2-carboxamide
CID 855752
5-methyl-N-propylpyrazine-2-carboxamide
CID 60637750
5-methyl-N-[6-[(5-methylpyrazine-2-carbonyl)amino]hexyl]pyrazine-2-carboxamide
CID 4963664
N-(2-ethylbutyl)-5-methylpyrazine-2-carboxamide
CID 115612532
N-[3-(cyclopropylamino)propyl]-5-methylpyrazine-2-carboxamide
CID 43596390
N-[(3-hydroxycyclohexyl)methyl]-6-methylpyridine-3-carboxamide
CID 103691279
5-chloro-N-(cyclohexylmethyl)pyrazine-2-carboxamide
CID 107236593
N-[(3-hydroxycyclobutyl)methyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 66005592
5-[(2-methylcyclopropyl)methylcarbamoyl]pyrazine-2-carboxylic acid
CID 120685133
5-methyl-N-[[1-(4-morpholin-4-ylsulfonylphenyl)piperidin-4-yl]methyl]pyrazine-2-carboxamide
CID 6489668
5-chloro-N-[(1-methylpyrrolidin-3-yl)methyl]pyrazine-2-carboxamide
CID 103803729
N-(4-hydroxy-2,2-dimethylbutyl)-5-methylpyrazine-2-carboxamide
CID 103772304

Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxycyclobutyl)methyl]-5-methylpyrazine-2-carboxamide?
The IUPAC name of N-[(3-hydroxycyclobutyl)methyl]-5-methylpyrazine-2-carboxamide (CID 66005550) is N-[(3-hydroxycyclobutyl)methyl]-5-methylpyrazine-2-carboxamide.
What is the SMILES notation for N-[(3-hydroxycyclobutyl)methyl]-5-methylpyrazine-2-carboxamide?
The canonical SMILES for N-[(3-hydroxycyclobutyl)methyl]-5-methylpyrazine-2-carboxamide is Cc1cnc(C(=O)NCC2CC(O)C2)cn1.
What is the InChIKey of N-[(3-hydroxycyclobutyl)methyl]-5-methylpyrazine-2-carboxamide?
The InChIKey is ZGBAEHBULASMTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-7-4-13-10(6-12-7)11(16)14-5-8-2-9(15)3-8/h4,6,8-9,15H,2-3,5H2,1H3,(H,14,16).
What are the key properties of N-[(3-hydroxycyclobutyl)methyl]-5-methylpyrazine-2-carboxamide?
N-[(3-hydroxycyclobutyl)methyl]-5-methylpyrazine-2-carboxamide has a molecular weight of 221.26 g/mol, XLogP of 0.29, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxycyclobutyl)methyl]-5-methylpyrazine-2-carboxamide is sourced from PubChem (CID 66005550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).