2-[1-(aminomethyl)cyclobutyl]-N-[(5-methylpyrazin-2-yl)methyl]acetamide

C13H20N4O — CID 81168792

IUPAC2-[1-(aminomethyl)cyclobutyl]-N-[(5-methylpyrazin-2-yl)methyl]acetamide
SMILESCc1cnc(CNC(=O)CC2(CN)CCC2)cn1
InChIInChI=1S/C13H20N4O/c1-10-6-16-11(7-15-10)8-17-12(18)5-13(9-14)3-2-4-13/h6-7H,2-5,8-9,14H2,1H3,(H,17,18)
InChIKeyDBEGBLUDKKOZJJ-UHFFFAOYSA-N
MW248.33 g/mol
LogP0.92
Rot. Bonds5

About 2-[1-(aminomethyl)cyclobutyl]-N-[(5-methylpyrazin-2-yl)methyl]acetamide

2-[1-(aminomethyl)cyclobutyl]-N-[(5-methylpyrazin-2-yl)methyl]acetamide (PubChem CID 81168792) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-[1-(aminomethyl)cyclobutyl]-N-[(5-methylpyrazin-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[1-(aminomethyl)cyclobutyl]-N-[(5-methylpyrazin-2-yl)methyl]acetamide
PubChem CID81168792
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name2-[1-(aminomethyl)cyclobutyl]-N-[(5-methylpyrazin-2-yl)methyl]acetamide
SMILESCc1cnc(CNC(=O)CC2(CN)CCC2)cn1
InChIInChI=1S/C13H20N4O/c1-10-6-16-11(7-15-10)8-17-12(18)5-13(9-14)3-2-4-13/h6-7H,2-5,8-9,14H2,1H3,(H,17,18)
InChIKeyDBEGBLUDKKOZJJ-UHFFFAOYSA-N
XLogP0.92
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(aminomethyl)-N-[(5-methylpyrazin-2-yl)methyl]cycloheptane-1-carboxamide
CID 62845577
2-amino-N-[2-[(5-methylpyrazin-2-yl)methylamino]-2-oxoethyl]acetamide
CID 62847599
(5-methylpyrazin-2-yl)methylurea
CID 62845946
3-(aminomethyl)-N-[(5-methylpyrazin-2-yl)methyl]pentanamide
CID 81080396
2-[1-(aminomethyl)cyclobutyl]-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]acetamide
CID 81168695
2-methoxy-N-[(5-methylpyrazin-2-yl)methyl]acetamide
CID 64590585
2-[1-(aminomethyl)cyclohexyl]-N-(1,2-oxazol-3-ylmethyl)acetamide
CID 113440200
ethyl N-[(5-methylpyrazin-2-yl)methyl]carbamate
CID 64592018
N-[(5-methylpyrazin-2-yl)methyl]pent-3-ynamide
CID 129060124
2-[1-(aminomethyl)cyclobutyl]-N-[2-(1,3-thiazol-2-yl)ethyl]acetamide
CID 81168800
2-[1-(aminomethyl)cyclobutyl]-N-[(3-ethylthiophen-2-yl)methyl]acetamide
CID 81169154
1-[[(5-methylpyrazin-2-yl)methylamino]methyl]cyclopentan-1-ol
CID 65210694

Frequently Asked Questions

What is the IUPAC name of 2-[1-(aminomethyl)cyclobutyl]-N-[(5-methylpyrazin-2-yl)methyl]acetamide?
The IUPAC name of 2-[1-(aminomethyl)cyclobutyl]-N-[(5-methylpyrazin-2-yl)methyl]acetamide (CID 81168792) is 2-[1-(aminomethyl)cyclobutyl]-N-[(5-methylpyrazin-2-yl)methyl]acetamide.
What is the SMILES notation for 2-[1-(aminomethyl)cyclobutyl]-N-[(5-methylpyrazin-2-yl)methyl]acetamide?
The canonical SMILES for 2-[1-(aminomethyl)cyclobutyl]-N-[(5-methylpyrazin-2-yl)methyl]acetamide is Cc1cnc(CNC(=O)CC2(CN)CCC2)cn1.
What is the InChIKey of 2-[1-(aminomethyl)cyclobutyl]-N-[(5-methylpyrazin-2-yl)methyl]acetamide?
The InChIKey is DBEGBLUDKKOZJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-10-6-16-11(7-15-10)8-17-12(18)5-13(9-14)3-2-4-13/h6-7H,2-5,8-9,14H2,1H3,(H,17,18).
What are the key properties of 2-[1-(aminomethyl)cyclobutyl]-N-[(5-methylpyrazin-2-yl)methyl]acetamide?
2-[1-(aminomethyl)cyclobutyl]-N-[(5-methylpyrazin-2-yl)methyl]acetamide has a molecular weight of 248.33 g/mol, XLogP of 0.92, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(aminomethyl)cyclobutyl]-N-[(5-methylpyrazin-2-yl)methyl]acetamide is sourced from PubChem (CID 81168792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).