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

C11H16ClN3O2 — CID 113407922

IUPAC2-[(3-chloro-2-pyridinyl)amino]-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)C(C)Nc1ncccc1Cl
InChIInChI=1S/C11H16ClN3O2/c1-8(11(16)14-6-7-17-2)15-10-9(12)4-3-5-13-10/h3-5,8H,6-7H2,1-2H3,(H,13,15)(H,14,16)
InChIKeyICJHMAWBIYSQMW-UHFFFAOYSA-N
MW257.72 g/mol
LogP1.30
Rot. Bonds6

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

2-[(3-chloro-2-pyridinyl)amino]-N-(2-methoxyethyl)propanamide (PubChem CID 113407922) has the molecular formula C11H16ClN3O2 and a molecular weight of 257.72 g/mol. Its IUPAC name is 2-[(3-chloro-2-pyridinyl)amino]-N-(2-methoxyethyl)propanamide.

Molecular Properties

Compound Name2-[(3-chloro-2-pyridinyl)amino]-N-(2-methoxyethyl)propanamide
PubChem CID113407922
Molecular FormulaC11H16ClN3O2
Molecular Weight257.72 g/mol
Exact Mass257.09
IUPAC Name2-[(3-chloro-2-pyridinyl)amino]-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)C(C)Nc1ncccc1Cl
InChIInChI=1S/C11H16ClN3O2/c1-8(11(16)14-6-7-17-2)15-10-9(12)4-3-5-13-10/h3-5,8H,6-7H2,1-2H3,(H,13,15)(H,14,16)
InChIKeyICJHMAWBIYSQMW-UHFFFAOYSA-N
XLogP1.30
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 51.30
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

methyl 2-[(3-chloro-2-pyridinyl)amino]propanoate
CID 43515165
2-[(3-chloro-2-pyridinyl)amino]-N-(2-methoxyethyl)acetamide
CID 115575489
2-[[3,5-dichloro-6-(methylamino)-2-pyridinyl]amino]-N-(2-methoxyethyl)propanamide
CID 102759668
2-[(6-amino-5-chloropyrimidin-4-yl)amino]-N-(2-methoxyethyl)propanamide
CID 114049887
N-(3-chloro-2-pyridinyl)-3-methoxypropanamide
CID 75448204
2-[(3-fluoro-2-pyridinyl)amino]-N-propylpropanamide
CID 62733234
2-[(3,5-difluoro-2-pyridinyl)amino]-N-(2-methoxyethyl)propanamide
CID 113407924
3-chloro-N-[1-(4-chlorophenyl)-3-methoxypropyl]pyridin-2-amine
CID 133380821
2-(5-chloro-2,4-dimethoxyanilino)-N-(2-methoxyethyl)propanamide
CID 43088875
2-(2-bromo-3-chloroanilino)-N-(3-methoxypropyl)propanamide
CID 103479185
2-(2,3-dichlorophenoxy)-N-(2-methoxyethyl)propanamide
CID 46452752
N-(2-methoxyethyl)-2-(naphthalen-1-ylamino)propanamide
CID 43086869

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-2-pyridinyl)amino]-N-(2-methoxyethyl)propanamide?
The IUPAC name of 2-[(3-chloro-2-pyridinyl)amino]-N-(2-methoxyethyl)propanamide (CID 113407922) is 2-[(3-chloro-2-pyridinyl)amino]-N-(2-methoxyethyl)propanamide.
What is the SMILES notation for 2-[(3-chloro-2-pyridinyl)amino]-N-(2-methoxyethyl)propanamide?
The canonical SMILES for 2-[(3-chloro-2-pyridinyl)amino]-N-(2-methoxyethyl)propanamide is COCCNC(=O)C(C)Nc1ncccc1Cl.
What is the InChIKey of 2-[(3-chloro-2-pyridinyl)amino]-N-(2-methoxyethyl)propanamide?
The InChIKey is ICJHMAWBIYSQMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O2/c1-8(11(16)14-6-7-17-2)15-10-9(12)4-3-5-13-10/h3-5,8H,6-7H2,1-2H3,(H,13,15)(H,14,16).
What are the key properties of 2-[(3-chloro-2-pyridinyl)amino]-N-(2-methoxyethyl)propanamide?
2-[(3-chloro-2-pyridinyl)amino]-N-(2-methoxyethyl)propanamide has a molecular weight of 257.72 g/mol, XLogP of 1.30, 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)propanamide is sourced from PubChem (CID 113407922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).