2-[3-(aminomethyl)-6-methyl-2-oxo-1-pyridinyl]-N-propylacetamide

C12H19N3O2 — CID 107073215

IUPAC2-[3-(aminomethyl)-6-methyl-2-oxo-1-pyridinyl]-N-propylacetamide
SMILESCCCNC(=O)Cn1c(C)ccc(CN)c1=O
InChIInChI=1S/C12H19N3O2/c1-3-6-14-11(16)8-15-9(2)4-5-10(7-13)12(15)17/h4-5H,3,6-8,13H2,1-2H3,(H,14,16)
InChIKeyKIMDIEQNVKRVIQ-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.14
Rot. Bonds5

About 2-[3-(aminomethyl)-6-methyl-2-oxo-1-pyridinyl]-N-propylacetamide

2-[3-(aminomethyl)-6-methyl-2-oxo-1-pyridinyl]-N-propylacetamide (PubChem CID 107073215) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 2-[3-(aminomethyl)-6-methyl-2-oxo-1-pyridinyl]-N-propylacetamide.

Molecular Properties

Compound Name2-[3-(aminomethyl)-6-methyl-2-oxo-1-pyridinyl]-N-propylacetamide
PubChem CID107073215
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name2-[3-(aminomethyl)-6-methyl-2-oxo-1-pyridinyl]-N-propylacetamide
SMILESCCCNC(=O)Cn1c(C)ccc(CN)c1=O
InChIInChI=1S/C12H19N3O2/c1-3-6-14-11(16)8-15-9(2)4-5-10(7-13)12(15)17/h4-5H,3,6-8,13H2,1-2H3,(H,14,16)
InChIKeyKIMDIEQNVKRVIQ-UHFFFAOYSA-N
XLogP0.14
TPSA77.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,5-dimethylpyrrol-1-yl)-N-propylacetamide
CID 43567559
2-[3-(aminomethyl)-2-oxoquinolin-1-yl]-N-propylacetamide
CID 63021327
2-(2,5-dimethylpyrrol-1-yl)-N-(2-hydroxyethyl)acetamide
CID 137320602
methyl 3-[3-(aminomethyl)-6-methyl-2-oxo-1-pyridinyl]propanoate
CID 107073197
2-(3-amino-6-methyl-2-oxo-1-pyridinyl)-N-(2-ethylbutyl)acetamide
CID 135186731
3-(aminomethyl)-1-(2-cyclopropylethyl)-6-methylpyridin-2-one
CID 107073150
2-(3-acetyl-6-methyl-2-oxo-1-pyridinyl)-N-(2-methoxyethyl)acetamide
CID 82064697
1-ethyl-6-methyl-3-(propylaminomethyl)pyridin-2-one
CID 82525446
3-(aminomethyl)-1-(2-methoxyethyl)-6-methylpyridin-2-one
CID 82188978
2-[3-(aminomethyl)pyrrol-1-yl]-N-propylacetamide
CID 66407532
2-(6-methyl-2-oxo-1-propyl-3-pyridinyl)acetic acid
CID 82525356
2-(2,5-dimethylpyrrol-1-yl)-N-(3-methoxypropyl)acetamide
CID 110688767

Frequently Asked Questions

What is the IUPAC name of 2-[3-(aminomethyl)-6-methyl-2-oxo-1-pyridinyl]-N-propylacetamide?
The IUPAC name of 2-[3-(aminomethyl)-6-methyl-2-oxo-1-pyridinyl]-N-propylacetamide (CID 107073215) is 2-[3-(aminomethyl)-6-methyl-2-oxo-1-pyridinyl]-N-propylacetamide.
What is the SMILES notation for 2-[3-(aminomethyl)-6-methyl-2-oxo-1-pyridinyl]-N-propylacetamide?
The canonical SMILES for 2-[3-(aminomethyl)-6-methyl-2-oxo-1-pyridinyl]-N-propylacetamide is CCCNC(=O)Cn1c(C)ccc(CN)c1=O.
What is the InChIKey of 2-[3-(aminomethyl)-6-methyl-2-oxo-1-pyridinyl]-N-propylacetamide?
The InChIKey is KIMDIEQNVKRVIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-3-6-14-11(16)8-15-9(2)4-5-10(7-13)12(15)17/h4-5H,3,6-8,13H2,1-2H3,(H,14,16).
What are the key properties of 2-[3-(aminomethyl)-6-methyl-2-oxo-1-pyridinyl]-N-propylacetamide?
2-[3-(aminomethyl)-6-methyl-2-oxo-1-pyridinyl]-N-propylacetamide has a molecular weight of 237.30 g/mol, XLogP of 0.14, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(aminomethyl)-6-methyl-2-oxo-1-pyridinyl]-N-propylacetamide is sourced from PubChem (CID 107073215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).