N'-acetyl-N'-(2-aminoethyl)-N-(2-chloro-3-pyridinyl)oxamide

C11H13ClN4O3 — CID 108520470

IUPACN'-acetyl-N'-(2-aminoethyl)-N-(2-chloro-3-pyridinyl)oxamide
SMILESCC(=O)N(CCN)C(=O)C(=O)Nc1cccnc1Cl
InChIInChI=1S/C11H13ClN4O3/c1-7(17)16(6-4-13)11(19)10(18)15-8-3-2-5-14-9(8)12/h2-3,5H,4,6,13H2,1H3,(H,15,18)
InChIKeyUAPHIOZVTSVUNA-UHFFFAOYSA-N
MW284.70 g/mol
LogP0.01
Rot. Bonds3

About N'-acetyl-N'-(2-aminoethyl)-N-(2-chloro-3-pyridinyl)oxamide

N'-acetyl-N'-(2-aminoethyl)-N-(2-chloro-3-pyridinyl)oxamide (PubChem CID 108520470) has the molecular formula C11H13ClN4O3 and a molecular weight of 284.70 g/mol. Its IUPAC name is N'-acetyl-N'-(2-aminoethyl)-N-(2-chloro-3-pyridinyl)oxamide.

Molecular Properties

Compound NameN'-acetyl-N'-(2-aminoethyl)-N-(2-chloro-3-pyridinyl)oxamide
PubChem CID108520470
Molecular FormulaC11H13ClN4O3
Molecular Weight284.70 g/mol
Exact Mass284.07
IUPAC NameN'-acetyl-N'-(2-aminoethyl)-N-(2-chloro-3-pyridinyl)oxamide
SMILESCC(=O)N(CCN)C(=O)C(=O)Nc1cccnc1Cl
InChIInChI=1S/C11H13ClN4O3/c1-7(17)16(6-4-13)11(19)10(18)15-8-3-2-5-14-9(8)12/h2-3,5H,4,6,13H2,1H3,(H,15,18)
InChIKeyUAPHIOZVTSVUNA-UHFFFAOYSA-N
XLogP0.01
TPSA105.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.70
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N'-acetyl-N'-(2-aminoethyl)-N-(2-propan-2-ylphenyl)oxamide
CID 108500601
N-(2-chloro-3-pyridinyl)-N',N'-bis(2-methylpropyl)oxamide
CID 108520466
N,N'-bis(2-chloro-3-pyridinyl)-2,2,3,3-tetrafluorobutanediamide
CID 3523141
N'-acetyl-N'-(2-aminoethyl)-N-(2-chloro-5-nitrophenyl)oxamide
CID 108513563
N'-(2-chloro-3-pyridinyl)-N-[2-(diethylamino)ethyl]oxamide
CID 44902462
2-amino-N-(2-chloro-3-pyridinyl)-2-methylbutanamide
CID 79797005
2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-(2-chloro-3-pyridinyl)acetamide
CID 79653209
N'-(2-chloro-3-pyridinyl)-N-[(2-fluorophenyl)methyl]oxamide
CID 108520475
N-(2-chloro-3-pyridinyl)-2-(methylamino)acetamide
CID 43222204
N-(2-chloro-3-pyridinyl)-2-[2-hydroxyethyl(propan-2-yl)amino]acetamide
CID 60691996
N'-(2-chloro-3-pyridinyl)-N-(3-hydroxypropyl)oxamide
CID 44999728
1-(2-chloro-3-pyridinyl)-3-(3-oxobutyl)urea
CID 108895086

Frequently Asked Questions

What is the IUPAC name of N'-acetyl-N'-(2-aminoethyl)-N-(2-chloro-3-pyridinyl)oxamide?
The IUPAC name of N'-acetyl-N'-(2-aminoethyl)-N-(2-chloro-3-pyridinyl)oxamide (CID 108520470) is N'-acetyl-N'-(2-aminoethyl)-N-(2-chloro-3-pyridinyl)oxamide.
What is the SMILES notation for N'-acetyl-N'-(2-aminoethyl)-N-(2-chloro-3-pyridinyl)oxamide?
The canonical SMILES for N'-acetyl-N'-(2-aminoethyl)-N-(2-chloro-3-pyridinyl)oxamide is CC(=O)N(CCN)C(=O)C(=O)Nc1cccnc1Cl.
What is the InChIKey of N'-acetyl-N'-(2-aminoethyl)-N-(2-chloro-3-pyridinyl)oxamide?
The InChIKey is UAPHIOZVTSVUNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN4O3/c1-7(17)16(6-4-13)11(19)10(18)15-8-3-2-5-14-9(8)12/h2-3,5H,4,6,13H2,1H3,(H,15,18).
What are the key properties of N'-acetyl-N'-(2-aminoethyl)-N-(2-chloro-3-pyridinyl)oxamide?
N'-acetyl-N'-(2-aminoethyl)-N-(2-chloro-3-pyridinyl)oxamide has a molecular weight of 284.70 g/mol, XLogP of 0.01, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-acetyl-N'-(2-aminoethyl)-N-(2-chloro-3-pyridinyl)oxamide is sourced from PubChem (CID 108520470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).