3-(2-aminoethoxy)-N-(1-ethyl-6-oxo-3-pyridinyl)propanamide

C12H19N3O3 — CID 112738988

IUPAC3-(2-aminoethoxy)-N-(1-ethyl-6-oxo-3-pyridinyl)propanamide
SMILESCCn1cc(NC(=O)CCOCCN)ccc1=O
InChIInChI=1S/C12H19N3O3/c1-2-15-9-10(3-4-12(15)17)14-11(16)5-7-18-8-6-13/h3-4,9H,2,5-8,13H2,1H3,(H,14,16)
InChIKeyDPUJWIAEUNJGTP-UHFFFAOYSA-N
MW253.30 g/mol
LogP0.17
Rot. Bonds7

About 3-(2-aminoethoxy)-N-(1-ethyl-6-oxo-3-pyridinyl)propanamide

3-(2-aminoethoxy)-N-(1-ethyl-6-oxo-3-pyridinyl)propanamide (PubChem CID 112738988) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is 3-(2-aminoethoxy)-N-(1-ethyl-6-oxo-3-pyridinyl)propanamide.

Molecular Properties

Compound Name3-(2-aminoethoxy)-N-(1-ethyl-6-oxo-3-pyridinyl)propanamide
PubChem CID112738988
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Name3-(2-aminoethoxy)-N-(1-ethyl-6-oxo-3-pyridinyl)propanamide
SMILESCCn1cc(NC(=O)CCOCCN)ccc1=O
InChIInChI=1S/C12H19N3O3/c1-2-15-9-10(3-4-12(15)17)14-11(16)5-7-18-8-6-13/h3-4,9H,2,5-8,13H2,1H3,(H,14,16)
InChIKeyDPUJWIAEUNJGTP-UHFFFAOYSA-N
XLogP0.17
TPSA86.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 50.17
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

4-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)butanamide
CID 63307672
2-bromo-N-(1-ethyl-6-oxo-3-pyridinyl)acetamide
CID 63680648
4-amino-N-(1-ethyl-6-oxo-3-pyridinyl)-3-methylbutanamide
CID 81075529
3-amino-N-(1-ethyl-6-oxo-3-pyridinyl)-2,2-dimethylpropanamide;hydrochloride
CID 119723761
N-(1-ethyl-6-oxo-3-pyridinyl)-4-(propan-2-ylamino)butanamide
CID 54862576
benzyl N-(1-ethyl-6-oxo-3-pyridinyl)carbamate
CID 130157687
2-anilino-N-(1-ethyl-6-oxo-3-pyridinyl)acetamide
CID 60927957
5-(2-aminoethylamino)-1-ethylpyridin-2-one
CID 130588922
(2S)-2-amino-N-(1-ethyl-6-oxo-3-pyridinyl)-3-methylpentanamide
CID 61172675
1-(aminomethyl)-N-(1-ethyl-6-oxo-3-pyridinyl)cyclohexane-1-carboxamide
CID 115437467
2-(2,6-dichlorophenyl)-N-(1-ethyl-6-oxo-3-pyridinyl)acetamide
CID 47048969
3-(2-aminoethoxy)-N-(6-methoxy-3-pyridinyl)propanamide
CID 112738961

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethoxy)-N-(1-ethyl-6-oxo-3-pyridinyl)propanamide?
The IUPAC name of 3-(2-aminoethoxy)-N-(1-ethyl-6-oxo-3-pyridinyl)propanamide (CID 112738988) is 3-(2-aminoethoxy)-N-(1-ethyl-6-oxo-3-pyridinyl)propanamide.
What is the SMILES notation for 3-(2-aminoethoxy)-N-(1-ethyl-6-oxo-3-pyridinyl)propanamide?
The canonical SMILES for 3-(2-aminoethoxy)-N-(1-ethyl-6-oxo-3-pyridinyl)propanamide is CCn1cc(NC(=O)CCOCCN)ccc1=O.
What is the InChIKey of 3-(2-aminoethoxy)-N-(1-ethyl-6-oxo-3-pyridinyl)propanamide?
The InChIKey is DPUJWIAEUNJGTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-2-15-9-10(3-4-12(15)17)14-11(16)5-7-18-8-6-13/h3-4,9H,2,5-8,13H2,1H3,(H,14,16).
What are the key properties of 3-(2-aminoethoxy)-N-(1-ethyl-6-oxo-3-pyridinyl)propanamide?
3-(2-aminoethoxy)-N-(1-ethyl-6-oxo-3-pyridinyl)propanamide has a molecular weight of 253.30 g/mol, XLogP of 0.17, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethoxy)-N-(1-ethyl-6-oxo-3-pyridinyl)propanamide is sourced from PubChem (CID 112738988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).