2-[(3-chloro-2-pyridinyl)amino]-N-(2-methoxyethyl)acetamide

C10H14ClN3O2 — CID 115575489

IUPAC2-[(3-chloro-2-pyridinyl)amino]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CNc1ncccc1Cl
InChIInChI=1S/C10H14ClN3O2/c1-16-6-5-12-9(15)7-14-10-8(11)3-2-4-13-10/h2-4H,5-7H2,1H3,(H,12,15)(H,13,14)
InChIKeyLGFVMGFVHUAKQA-UHFFFAOYSA-N
MW243.69 g/mol
LogP0.91
Rot. Bonds6

About 2-[(3-chloro-2-pyridinyl)amino]-N-(2-methoxyethyl)acetamide

2-[(3-chloro-2-pyridinyl)amino]-N-(2-methoxyethyl)acetamide (PubChem CID 115575489) has the molecular formula C10H14ClN3O2 and a molecular weight of 243.69 g/mol. Its IUPAC name is 2-[(3-chloro-2-pyridinyl)amino]-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-[(3-chloro-2-pyridinyl)amino]-N-(2-methoxyethyl)acetamide
PubChem CID115575489
Molecular FormulaC10H14ClN3O2
Molecular Weight243.69 g/mol
Exact Mass243.08
IUPAC Name2-[(3-chloro-2-pyridinyl)amino]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CNc1ncccc1Cl
InChIInChI=1S/C10H14ClN3O2/c1-16-6-5-12-9(15)7-14-10-8(11)3-2-4-13-10/h2-4H,5-7H2,1H3,(H,12,15)(H,13,14)
InChIKeyLGFVMGFVHUAKQA-UHFFFAOYSA-N
XLogP0.91
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.69
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(3-chloro-2-pyridinyl)amino]-N-propylacetamide
CID 43402545
2-[(3-chloro-2-pyridinyl)amino]-N-(2-methoxyethyl)propanamide
CID 113407922
N-tert-butyl-2-[(3-chloro-2-pyridinyl)amino]acetamide
CID 115279391
2-[(3-amino-4-methyl-2-pyridinyl)amino]-N-(2-methoxyethyl)acetamide
CID 113405011
N-(3-chloro-2-pyridinyl)-3-methoxypropanamide
CID 75448204
2-[(7-hydroxyisoquinolin-1-yl)amino]-N-(2-methoxyethyl)acetamide
CID 106539384
2-[[3-(2-methoxyethylamino)-3-oxopropyl]amino]pyridine-3-carboxamide
CID 112686364
2-(4-chloroanilino)-N-(2-methoxyethyl)acetamide
CID 39347241
2-(2-chlorophenyl)sulfanyl-N-(2-methoxyethyl)acetamide
CID 112778862
2-(3-chloroanilino)-N-(2-methoxyethyl)acetamide
CID 39347237
3-(2,6-dichloroanilino)-N-(2-methoxyethyl)propanamide
CID 109015134
3-chloro-N-(2-methylprop-2-enyl)pyridin-2-amine
CID 114617517

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-2-pyridinyl)amino]-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-[(3-chloro-2-pyridinyl)amino]-N-(2-methoxyethyl)acetamide (CID 115575489) is 2-[(3-chloro-2-pyridinyl)amino]-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-[(3-chloro-2-pyridinyl)amino]-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-[(3-chloro-2-pyridinyl)amino]-N-(2-methoxyethyl)acetamide is COCCNC(=O)CNc1ncccc1Cl.
What is the InChIKey of 2-[(3-chloro-2-pyridinyl)amino]-N-(2-methoxyethyl)acetamide?
The InChIKey is LGFVMGFVHUAKQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O2/c1-16-6-5-12-9(15)7-14-10-8(11)3-2-4-13-10/h2-4H,5-7H2,1H3,(H,12,15)(H,13,14).
What are the key properties of 2-[(3-chloro-2-pyridinyl)amino]-N-(2-methoxyethyl)acetamide?
2-[(3-chloro-2-pyridinyl)amino]-N-(2-methoxyethyl)acetamide has a molecular weight of 243.69 g/mol, XLogP of 0.91, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chloro-2-pyridinyl)amino]-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 115575489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).