3-(aminomethyl)-N-[(5-methylpyrazin-2-yl)methyl]pentanamide

C12H20N4O — CID 81080396

IUPAC3-(aminomethyl)-N-[(5-methylpyrazin-2-yl)methyl]pentanamide
SMILESCCC(CN)CC(=O)NCc1cnc(C)cn1
InChIInChI=1S/C12H20N4O/c1-3-10(5-13)4-12(17)16-8-11-7-14-9(2)6-15-11/h6-7,10H,3-5,8,13H2,1-2H3,(H,16,17)
InChIKeyOZGLQFFCOJHHDW-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.78
Rot. Bonds6

About 3-(aminomethyl)-N-[(5-methylpyrazin-2-yl)methyl]pentanamide

3-(aminomethyl)-N-[(5-methylpyrazin-2-yl)methyl]pentanamide (PubChem CID 81080396) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 3-(aminomethyl)-N-[(5-methylpyrazin-2-yl)methyl]pentanamide.

Molecular Properties

Compound Name3-(aminomethyl)-N-[(5-methylpyrazin-2-yl)methyl]pentanamide
PubChem CID81080396
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name3-(aminomethyl)-N-[(5-methylpyrazin-2-yl)methyl]pentanamide
SMILESCCC(CN)CC(=O)NCc1cnc(C)cn1
InChIInChI=1S/C12H20N4O/c1-3-10(5-13)4-12(17)16-8-11-7-14-9(2)6-15-11/h6-7,10H,3-5,8,13H2,1-2H3,(H,16,17)
InChIKeyOZGLQFFCOJHHDW-UHFFFAOYSA-N
XLogP0.78
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(aminomethyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pentanamide
CID 106371544
2-amino-N-[2-[(5-methylpyrazin-2-yl)methylamino]-2-oxoethyl]acetamide
CID 62847599
(5-methylpyrazin-2-yl)methylurea
CID 62845946
ethyl N-[(5-methylpyrazin-2-yl)methyl]carbamate
CID 64592018
2-[1-(aminomethyl)cyclobutyl]-N-[(5-methylpyrazin-2-yl)methyl]acetamide
CID 81168792
2-methoxy-N-[(5-methylpyrazin-2-yl)methyl]acetamide
CID 64590585
2-[(2-methylpropan-2-yl)oxy]-N-[(5-methylpyrazin-2-yl)methyl]acetamide
CID 112605146
3-(aminomethyl)-N-[(6-methoxy-3-pyridinyl)methyl]pentanamide
CID 81087037
3-(aminomethyl)-N-(pyridin-3-ylmethyl)pentanamide
CID 81071444
N-[(5-methylpyrazin-2-yl)methyl]pent-3-ynamide
CID 129060124
3-(aminomethyl)-N-[(5-methylfuran-2-yl)methyl]pentanamide
CID 81087637
(3R)-3-(4-chlorophenyl)-N-[(5-methylpyrazin-2-yl)methyl]-3-phenylpropanamide
CID 25368116

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-[(5-methylpyrazin-2-yl)methyl]pentanamide?
The IUPAC name of 3-(aminomethyl)-N-[(5-methylpyrazin-2-yl)methyl]pentanamide (CID 81080396) is 3-(aminomethyl)-N-[(5-methylpyrazin-2-yl)methyl]pentanamide.
What is the SMILES notation for 3-(aminomethyl)-N-[(5-methylpyrazin-2-yl)methyl]pentanamide?
The canonical SMILES for 3-(aminomethyl)-N-[(5-methylpyrazin-2-yl)methyl]pentanamide is CCC(CN)CC(=O)NCc1cnc(C)cn1.
What is the InChIKey of 3-(aminomethyl)-N-[(5-methylpyrazin-2-yl)methyl]pentanamide?
The InChIKey is OZGLQFFCOJHHDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-3-10(5-13)4-12(17)16-8-11-7-14-9(2)6-15-11/h6-7,10H,3-5,8,13H2,1-2H3,(H,16,17).
What are the key properties of 3-(aminomethyl)-N-[(5-methylpyrazin-2-yl)methyl]pentanamide?
3-(aminomethyl)-N-[(5-methylpyrazin-2-yl)methyl]pentanamide has a molecular weight of 236.32 g/mol, XLogP of 0.78, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-[(5-methylpyrazin-2-yl)methyl]pentanamide is sourced from PubChem (CID 81080396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).