N'-(2-chloro-3-pyridinyl)-N-[2-(diethylamino)ethyl]oxamide

C13H19ClN4O2 — CID 44902462

IUPACN'-(2-chloro-3-pyridinyl)-N-[2-(diethylamino)ethyl]oxamide
SMILESCCN(CC)CCNC(=O)C(=O)Nc1cccnc1Cl
InChIInChI=1S/C13H19ClN4O2/c1-3-18(4-2)9-8-16-12(19)13(20)17-10-6-5-7-15-11(10)14/h5-7H,3-4,8-9H2,1-2H3,(H,16,19)(H,17,20)
InChIKeyMSOZMCBIRHSNKI-UHFFFAOYSA-N
MW298.77 g/mol
LogP1.13
Rot. Bonds6

About N'-(2-chloro-3-pyridinyl)-N-[2-(diethylamino)ethyl]oxamide

N'-(2-chloro-3-pyridinyl)-N-[2-(diethylamino)ethyl]oxamide (PubChem CID 44902462) has the molecular formula C13H19ClN4O2 and a molecular weight of 298.77 g/mol. Its IUPAC name is N'-(2-chloro-3-pyridinyl)-N-[2-(diethylamino)ethyl]oxamide.

Molecular Properties

Compound NameN'-(2-chloro-3-pyridinyl)-N-[2-(diethylamino)ethyl]oxamide
PubChem CID44902462
Molecular FormulaC13H19ClN4O2
Molecular Weight298.77 g/mol
Exact Mass298.12
IUPAC NameN'-(2-chloro-3-pyridinyl)-N-[2-(diethylamino)ethyl]oxamide
SMILESCCN(CC)CCNC(=O)C(=O)Nc1cccnc1Cl
InChIInChI=1S/C13H19ClN4O2/c1-3-18(4-2)9-8-16-12(19)13(20)17-10-6-5-7-15-11(10)14/h5-7H,3-4,8-9H2,1-2H3,(H,16,19)(H,17,20)
InChIKeyMSOZMCBIRHSNKI-UHFFFAOYSA-N
XLogP1.13
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N'-(2-chloro-3-pyridinyl)-N-[2-(diethylamino)ethyl]oxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-(2-chloro-3-pyridinyl)-N-(3-hydroxypropyl)oxamide
CID 44999728
N'-(2-chloro-3-pyridinyl)-N-(2-phenylethyl)oxamide
CID 44999763
N-[2-(diethylamino)ethyl]-N'-naphthalen-1-yloxamide
CID 108522195
N'-(2-chloro-3-pyridinyl)-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]oxamide
CID 108520506
2-[benzyl(ethyl)amino]-N-(2-chloro-3-pyridinyl)acetamide
CID 8547504
N'-(2-chloro-3-pyridinyl)-N-[(2-fluorophenyl)methyl]oxamide
CID 108520475
N-(2-chloro-3-pyridinyl)-2-(methylamino)acetamide
CID 43222204
N-[2-(diethylamino)ethyl]-N'-(2,4-difluorophenyl)oxamide
CID 7541482
N-(2-chloro-3-pyridinyl)-N',N'-bis(2-methylpropyl)oxamide
CID 108520466
N'-acetyl-N'-(2-aminoethyl)-N-(2-chloro-3-pyridinyl)oxamide
CID 108520470
1-(2-chloro-3-pyridinyl)-3-(3-oxobutyl)urea
CID 108895086
3-amino-N-[2-(diethylamino)ethyl]pyridine-2-carboxamide
CID 104740794

Frequently Asked Questions

What is the IUPAC name of N'-(2-chloro-3-pyridinyl)-N-[2-(diethylamino)ethyl]oxamide?
The IUPAC name of N'-(2-chloro-3-pyridinyl)-N-[2-(diethylamino)ethyl]oxamide (CID 44902462) is N'-(2-chloro-3-pyridinyl)-N-[2-(diethylamino)ethyl]oxamide.
What is the SMILES notation for N'-(2-chloro-3-pyridinyl)-N-[2-(diethylamino)ethyl]oxamide?
The canonical SMILES for N'-(2-chloro-3-pyridinyl)-N-[2-(diethylamino)ethyl]oxamide is CCN(CC)CCNC(=O)C(=O)Nc1cccnc1Cl.
What is the InChIKey of N'-(2-chloro-3-pyridinyl)-N-[2-(diethylamino)ethyl]oxamide?
The InChIKey is MSOZMCBIRHSNKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN4O2/c1-3-18(4-2)9-8-16-12(19)13(20)17-10-6-5-7-15-11(10)14/h5-7H,3-4,8-9H2,1-2H3,(H,16,19)(H,17,20).
What are the key properties of N'-(2-chloro-3-pyridinyl)-N-[2-(diethylamino)ethyl]oxamide?
N'-(2-chloro-3-pyridinyl)-N-[2-(diethylamino)ethyl]oxamide has a molecular weight of 298.77 g/mol, XLogP of 1.13, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-chloro-3-pyridinyl)-N-[2-(diethylamino)ethyl]oxamide is sourced from PubChem (CID 44902462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).