3-(aminomethyl)-1-[2-(2-hydroxyethoxy)ethyl]pyridin-2-one

C10H16N2O3 — CID 107017539

IUPAC3-(aminomethyl)-1-[2-(2-hydroxyethoxy)ethyl]pyridin-2-one
SMILESNCc1cccn(CCOCCO)c1=O
InChIInChI=1S/C10H16N2O3/c11-8-9-2-1-3-12(10(9)14)4-6-15-7-5-13/h1-3,13H,4-8,11H2
InChIKeyRBUNOFMGGZYUGK-UHFFFAOYSA-N
MW212.25 g/mol
LogP-0.68
Rot. Bonds6

About 3-(aminomethyl)-1-[2-(2-hydroxyethoxy)ethyl]pyridin-2-one

3-(aminomethyl)-1-[2-(2-hydroxyethoxy)ethyl]pyridin-2-one (PubChem CID 107017539) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is 3-(aminomethyl)-1-[2-(2-hydroxyethoxy)ethyl]pyridin-2-one.

Molecular Properties

Compound Name3-(aminomethyl)-1-[2-(2-hydroxyethoxy)ethyl]pyridin-2-one
PubChem CID107017539
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC Name3-(aminomethyl)-1-[2-(2-hydroxyethoxy)ethyl]pyridin-2-one
SMILESNCc1cccn(CCOCCO)c1=O
InChIInChI=1S/C10H16N2O3/c11-8-9-2-1-3-12(10(9)14)4-6-15-7-5-13/h1-3,13H,4-8,11H2
InChIKeyRBUNOFMGGZYUGK-UHFFFAOYSA-N
XLogP-0.68
TPSA77.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 5-0.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-hydroxy-3-methoxy-2-methylpropyl)-1-methyl-2-oxo-1,2-dihydropyridine-3-carboxamide
CID 56724187
1-(2-hydroxyethyl)-2H-pyridine-3-carboxamide
CID 21881597
N-[2-(2-hydroxyethoxy)ethyl]-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 88537727
1-(2-Hydroxyethyl)-2-oxopyridine-3-carboxamide
CID 89857978
1-[(1R,2R)-2,3-dihydroxy-1-(2-hydroxyethoxy)propyl]-2H-pyridine-3-carboxamide
CID 130271848
1-(2-Hydroxy-1-methoxyethyl)-3-methylpyridin-2-one
CID 134277971
1-(2-Hydroxy-1-methoxyethyl)-2-oxopyridine-3-carboxamide
CID 134278029
1-[2-(2-hydroxyethoxy)ethyl]-2-sulfanyl-2H-pyridine-3-carboxamide
CID 141330970
N-(2-hydroxyethyl)-1,2-dihydropyridine-3-carboxamide
CID 142921037
1-[2-(2-Hydroxyethoxy)ethyl]-2-sulfanylidenepyridine-3-carboxamide
CID 146452049
3-(Aminomethyl)-1-[2-(4-hydroxybutoxy)ethyl]pyridin-2-one
CID 156176376
[1-[2-(4-Hydroxybutoxy)ethyl]-2-oxo-3-pyridinyl]methylcarbamic acid
CID 156176413

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-1-[2-(2-hydroxyethoxy)ethyl]pyridin-2-one?
The IUPAC name of 3-(aminomethyl)-1-[2-(2-hydroxyethoxy)ethyl]pyridin-2-one (CID 107017539) is 3-(aminomethyl)-1-[2-(2-hydroxyethoxy)ethyl]pyridin-2-one.
What is the SMILES notation for 3-(aminomethyl)-1-[2-(2-hydroxyethoxy)ethyl]pyridin-2-one?
The canonical SMILES for 3-(aminomethyl)-1-[2-(2-hydroxyethoxy)ethyl]pyridin-2-one is NCc1cccn(CCOCCO)c1=O.
What is the InChIKey of 3-(aminomethyl)-1-[2-(2-hydroxyethoxy)ethyl]pyridin-2-one?
The InChIKey is RBUNOFMGGZYUGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3/c11-8-9-2-1-3-12(10(9)14)4-6-15-7-5-13/h1-3,13H,4-8,11H2.
What are the key properties of 3-(aminomethyl)-1-[2-(2-hydroxyethoxy)ethyl]pyridin-2-one?
3-(aminomethyl)-1-[2-(2-hydroxyethoxy)ethyl]pyridin-2-one has a molecular weight of 212.25 g/mol, XLogP of -0.68, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-1-[2-(2-hydroxyethoxy)ethyl]pyridin-2-one is sourced from PubChem (CID 107017539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).