2-[3-(aminomethyl)-2-oxo-1-pyridinyl]-N-(3-methoxyphenyl)acetamide

C15H17N3O3 — CID 107017585

IUPAC2-[3-(aminomethyl)-2-oxo-1-pyridinyl]-N-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(NC(=O)Cn2cccc(CN)c2=O)c1
InChIInChI=1S/C15H17N3O3/c1-21-13-6-2-5-12(8-13)17-14(19)10-18-7-3-4-11(9-16)15(18)20/h2-8H,9-10,16H2,1H3,(H,17,19)
InChIKeyYJIWGBFRIFPROY-UHFFFAOYSA-N
MW287.32 g/mol
LogP0.95
Rot. Bonds5

About 2-[3-(aminomethyl)-2-oxo-1-pyridinyl]-N-(3-methoxyphenyl)acetamide

2-[3-(aminomethyl)-2-oxo-1-pyridinyl]-N-(3-methoxyphenyl)acetamide (PubChem CID 107017585) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is 2-[3-(aminomethyl)-2-oxo-1-pyridinyl]-N-(3-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[3-(aminomethyl)-2-oxo-1-pyridinyl]-N-(3-methoxyphenyl)acetamide
PubChem CID107017585
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name2-[3-(aminomethyl)-2-oxo-1-pyridinyl]-N-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(NC(=O)Cn2cccc(CN)c2=O)c1
InChIInChI=1S/C15H17N3O3/c1-21-13-6-2-5-12(8-13)17-14(19)10-18-7-3-4-11(9-16)15(18)20/h2-8H,9-10,16H2,1H3,(H,17,19)
InChIKeyYJIWGBFRIFPROY-UHFFFAOYSA-N
XLogP0.95
TPSA86.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(1-ethyl-2-oxo-3-pyridinyl)methyl]-1-(3-methoxyphenyl)guanidine
CID 120606012
2-(2,5-dimethylpyrrol-1-yl)-N-(3-methoxyphenyl)acetamide
CID 21383169
2-(3-amino-2-oxo-1-pyridinyl)-N-(4-methoxyphenyl)acetamide
CID 62102933
2-[4-(4-ethoxyphenyl)-2,3-dioxopyrazin-1-yl]-N-(3-methoxyphenyl)acetamide
CID 30564683
N-(3-methoxyphenyl)-2-(4-oxopyrrolo[1,2-a]quinoxalin-5-yl)acetamide
CID 6624010
2-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-(3-methoxyphenyl)acetamide
CID 30849405
2-(2-formylimidazol-1-yl)-N-(3-methoxyphenyl)acetamide
CID 62223154
2-(5-amino-2-oxopiperidin-1-yl)-N-(3-methoxyphenyl)acetamide
CID 64978046
2-(azocan-1-yl)-N-(3-methoxyphenyl)acetamide
CID 8583685
N-(3-methoxyphenyl)-2-(N-methylanilino)acetamide
CID 8689446
N-(4-fluorophenyl)-2-[4-[2-(3-methoxyanilino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 7336695
2-(3-amino-1,2,4-triazol-1-yl)-N-(3-methoxyphenyl)acetamide
CID 60911842

Frequently Asked Questions

What is the IUPAC name of 2-[3-(aminomethyl)-2-oxo-1-pyridinyl]-N-(3-methoxyphenyl)acetamide?
The IUPAC name of 2-[3-(aminomethyl)-2-oxo-1-pyridinyl]-N-(3-methoxyphenyl)acetamide (CID 107017585) is 2-[3-(aminomethyl)-2-oxo-1-pyridinyl]-N-(3-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[3-(aminomethyl)-2-oxo-1-pyridinyl]-N-(3-methoxyphenyl)acetamide?
The canonical SMILES for 2-[3-(aminomethyl)-2-oxo-1-pyridinyl]-N-(3-methoxyphenyl)acetamide is COc1cccc(NC(=O)Cn2cccc(CN)c2=O)c1.
What is the InChIKey of 2-[3-(aminomethyl)-2-oxo-1-pyridinyl]-N-(3-methoxyphenyl)acetamide?
The InChIKey is YJIWGBFRIFPROY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-21-13-6-2-5-12(8-13)17-14(19)10-18-7-3-4-11(9-16)15(18)20/h2-8H,9-10,16H2,1H3,(H,17,19).
What are the key properties of 2-[3-(aminomethyl)-2-oxo-1-pyridinyl]-N-(3-methoxyphenyl)acetamide?
2-[3-(aminomethyl)-2-oxo-1-pyridinyl]-N-(3-methoxyphenyl)acetamide has a molecular weight of 287.32 g/mol, XLogP of 0.95, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(aminomethyl)-2-oxo-1-pyridinyl]-N-(3-methoxyphenyl)acetamide is sourced from PubChem (CID 107017585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).