2-[[2-(diethylcarbamoyl)-4-pyridinyl]amino]oxyacetic acid

C12H17N3O4 — CID 115572227

IUPAC2-[[2-(diethylcarbamoyl)-4-pyridinyl]amino]oxyacetic acid
SMILESCCN(CC)C(=O)c1cc(NOCC(=O)O)ccn1
InChIInChI=1S/C12H17N3O4/c1-3-15(4-2)12(18)10-7-9(5-6-13-10)14-19-8-11(16)17/h5-7H,3-4,8H2,1-2H3,(H,13,14)(H,16,17)
InChIKeyDZUSSORWMCUHPQ-UHFFFAOYSA-N
MW267.29 g/mol
LogP0.99
Rot. Bonds7

About 2-[[2-(diethylcarbamoyl)-4-pyridinyl]amino]oxyacetic acid

2-[[2-(diethylcarbamoyl)-4-pyridinyl]amino]oxyacetic acid (PubChem CID 115572227) has the molecular formula C12H17N3O4 and a molecular weight of 267.29 g/mol. Its IUPAC name is 2-[[2-(diethylcarbamoyl)-4-pyridinyl]amino]oxyacetic acid.

Molecular Properties

Compound Name2-[[2-(diethylcarbamoyl)-4-pyridinyl]amino]oxyacetic acid
PubChem CID115572227
Molecular FormulaC12H17N3O4
Molecular Weight267.29 g/mol
Exact Mass267.12
IUPAC Name2-[[2-(diethylcarbamoyl)-4-pyridinyl]amino]oxyacetic acid
SMILESCCN(CC)C(=O)c1cc(NOCC(=O)O)ccn1
InChIInChI=1S/C12H17N3O4/c1-3-15(4-2)12(18)10-7-9(5-6-13-10)14-19-8-11(16)17/h5-7H,3-4,8H2,1-2H3,(H,13,14)(H,16,17)
InChIKeyDZUSSORWMCUHPQ-UHFFFAOYSA-N
XLogP0.99
TPSA91.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N,N-diethyl-4-(propylamino)pyridine-2-carboxamide
CID 43395263
2-[[2-(diethylcarbamoyl)-4-pyridinyl]amino]propanoic acid
CID 43517392
4-(1-aminopropan-2-ylamino)-N,N-diethylpyridine-2-carboxamide
CID 55228575
N,N-diethyl-4-[(1-methylcyclopropyl)amino]pyridine-2-carboxamide
CID 113485597
N,N-diethyl-4-(2,2,2-trifluoroethylamino)pyridine-2-carboxamide
CID 43517418
N,N-diethyl-4-(2-methylbutylamino)pyridine-2-carboxamide
CID 62693747
2-[[[2-(diethylcarbamoyl)-4-pyridinyl]amino]methyl]butanoic acid
CID 65226330
methyl 2-[[2-(diethylcarbamoyl)-4-pyridinyl]amino]-3-hydroxypropanoate
CID 62006426
4-(3-acetamidoanilino)-N,N-diethylpyridine-2-carboxamide
CID 109216443
N,N-diethyl-4-(2-methylanilino)pyridine-2-carboxamide
CID 109216389
4-(2,3-dihydroxypropylamino)-N,N-diethylpyridine-2-carboxamide
CID 66175860
N-ethyl-N-(2-methoxyethyl)-4-(methylamino)pyridine-2-carboxamide
CID 62176077

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(diethylcarbamoyl)-4-pyridinyl]amino]oxyacetic acid?
The IUPAC name of 2-[[2-(diethylcarbamoyl)-4-pyridinyl]amino]oxyacetic acid (CID 115572227) is 2-[[2-(diethylcarbamoyl)-4-pyridinyl]amino]oxyacetic acid.
What is the SMILES notation for 2-[[2-(diethylcarbamoyl)-4-pyridinyl]amino]oxyacetic acid?
The canonical SMILES for 2-[[2-(diethylcarbamoyl)-4-pyridinyl]amino]oxyacetic acid is CCN(CC)C(=O)c1cc(NOCC(=O)O)ccn1.
What is the InChIKey of 2-[[2-(diethylcarbamoyl)-4-pyridinyl]amino]oxyacetic acid?
The InChIKey is DZUSSORWMCUHPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O4/c1-3-15(4-2)12(18)10-7-9(5-6-13-10)14-19-8-11(16)17/h5-7H,3-4,8H2,1-2H3,(H,13,14)(H,16,17).
What are the key properties of 2-[[2-(diethylcarbamoyl)-4-pyridinyl]amino]oxyacetic acid?
2-[[2-(diethylcarbamoyl)-4-pyridinyl]amino]oxyacetic acid has a molecular weight of 267.29 g/mol, XLogP of 0.99, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(diethylcarbamoyl)-4-pyridinyl]amino]oxyacetic acid is sourced from PubChem (CID 115572227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).