N-(5-chloro-2-pyridinyl)-N'-(1-methoxypropan-2-yl)oxamide

C11H14ClN3O3 — CID 44996125

IUPACN-(5-chloro-2-pyridinyl)-N'-(1-methoxypropan-2-yl)oxamide
SMILESCOCC(C)NC(=O)C(=O)Nc1ccc(Cl)cn1
InChIInChI=1S/C11H14ClN3O3/c1-7(6-18-2)14-10(16)11(17)15-9-4-3-8(12)5-13-9/h3-5,7H,6H2,1-2H3,(H,14,16)(H,13,15,17)
InChIKeyRZNJSABGAGYYBN-UHFFFAOYSA-N
MW271.70 g/mol
LogP0.82
Rot. Bonds4

About N-(5-chloro-2-pyridinyl)-N'-(1-methoxypropan-2-yl)oxamide

N-(5-chloro-2-pyridinyl)-N'-(1-methoxypropan-2-yl)oxamide (PubChem CID 44996125) has the molecular formula C11H14ClN3O3 and a molecular weight of 271.70 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-N'-(1-methoxypropan-2-yl)oxamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-N'-(1-methoxypropan-2-yl)oxamide
PubChem CID44996125
Molecular FormulaC11H14ClN3O3
Molecular Weight271.70 g/mol
Exact Mass271.07
IUPAC NameN-(5-chloro-2-pyridinyl)-N'-(1-methoxypropan-2-yl)oxamide
SMILESCOCC(C)NC(=O)C(=O)Nc1ccc(Cl)cn1
InChIInChI=1S/C11H14ClN3O3/c1-7(6-18-2)14-10(16)11(17)15-9-4-3-8(12)5-13-9/h3-5,7H,6H2,1-2H3,(H,14,16)(H,13,15,17)
InChIKeyRZNJSABGAGYYBN-UHFFFAOYSA-N
XLogP0.82
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.70
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(5-chloro-2-pyridinyl)-N'-(1-methoxypropan-2-yl)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'-(5-chloro-2-pyridinyl)oxamide;hydrochloride
CID 22934756
2-[(5-chloro-2-pyridinyl)amino]-2-oxoacetyl chloride
CID 152602540
N-(5-chloro-2-pyridinyl)-2-oxoacetamide;methoxyethane
CID 153335046
(2S)-2-amino-N-(5-chloro-2-pyridinyl)propanamide
CID 61146165
3-amino-N-(5-chloro-2-pyridinyl)-2-methoxypropanamide
CID 106111210
(3S)-N-(5-chloro-2-pyridinyl)-1-[(2R)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 9364894
(3S)-N-(5-chloro-2-pyridinyl)-1-[(2S)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 9364893
tert-butyl N-[(2S)-1-[[2-[(5-chloro-2-pyridinyl)amino]-2-oxoacetyl]amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-yl]carbamate
CID 140514569
2-amino-N-(5-chloro-2-pyridinyl)-3-methylbutanamide
CID 76892362
N'-[(2R)-1-methoxypropan-2-yl]-N-(2-methylsulfanylphenyl)oxamide
CID 51470310
N-(5-chloro-2-pyridinyl)-2-(4-methoxyphenyl)acetamide
CID 949027
2-(aminomethyl)-N-(5-chloro-2-pyridinyl)-3-methylbutanamide
CID 65226103

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-N'-(1-methoxypropan-2-yl)oxamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-N'-(1-methoxypropan-2-yl)oxamide (CID 44996125) is N-(5-chloro-2-pyridinyl)-N'-(1-methoxypropan-2-yl)oxamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-N'-(1-methoxypropan-2-yl)oxamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-N'-(1-methoxypropan-2-yl)oxamide is COCC(C)NC(=O)C(=O)Nc1ccc(Cl)cn1.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-N'-(1-methoxypropan-2-yl)oxamide?
The InChIKey is RZNJSABGAGYYBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3O3/c1-7(6-18-2)14-10(16)11(17)15-9-4-3-8(12)5-13-9/h3-5,7H,6H2,1-2H3,(H,14,16)(H,13,15,17).
What are the key properties of N-(5-chloro-2-pyridinyl)-N'-(1-methoxypropan-2-yl)oxamide?
N-(5-chloro-2-pyridinyl)-N'-(1-methoxypropan-2-yl)oxamide has a molecular weight of 271.70 g/mol, XLogP of 0.82, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-N'-(1-methoxypropan-2-yl)oxamide is sourced from PubChem (CID 44996125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).