3-[(5-chloro-2-pyridinyl)amino]-N-(2-methoxyethyl)propanamide

C11H16ClN3O2 — CID 75374255

IUPAC3-[(5-chloro-2-pyridinyl)amino]-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)CCNc1ccc(Cl)cn1
InChIInChI=1S/C11H16ClN3O2/c1-17-7-6-14-11(16)4-5-13-10-3-2-9(12)8-15-10/h2-3,8H,4-7H2,1H3,(H,13,15)(H,14,16)
InChIKeyRSDGPCIBBYLDBQ-UHFFFAOYSA-N
MW257.72 g/mol
LogP1.30
Rot. Bonds7

About 3-[(5-chloro-2-pyridinyl)amino]-N-(2-methoxyethyl)propanamide

3-[(5-chloro-2-pyridinyl)amino]-N-(2-methoxyethyl)propanamide (PubChem CID 75374255) has the molecular formula C11H16ClN3O2 and a molecular weight of 257.72 g/mol. Its IUPAC name is 3-[(5-chloro-2-pyridinyl)amino]-N-(2-methoxyethyl)propanamide.

Molecular Properties

Compound Name3-[(5-chloro-2-pyridinyl)amino]-N-(2-methoxyethyl)propanamide
PubChem CID75374255
Molecular FormulaC11H16ClN3O2
Molecular Weight257.72 g/mol
Exact Mass257.09
IUPAC Name3-[(5-chloro-2-pyridinyl)amino]-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)CCNc1ccc(Cl)cn1
InChIInChI=1S/C11H16ClN3O2/c1-17-7-6-14-11(16)4-5-13-10-3-2-9(12)8-15-10/h2-3,8H,4-7H2,1H3,(H,13,15)(H,14,16)
InChIKeyRSDGPCIBBYLDBQ-UHFFFAOYSA-N
XLogP1.30
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
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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Frequently Asked Questions

What is the IUPAC name of 3-[(5-chloro-2-pyridinyl)amino]-N-(2-methoxyethyl)propanamide?
The IUPAC name of 3-[(5-chloro-2-pyridinyl)amino]-N-(2-methoxyethyl)propanamide (CID 75374255) is 3-[(5-chloro-2-pyridinyl)amino]-N-(2-methoxyethyl)propanamide.
What is the SMILES notation for 3-[(5-chloro-2-pyridinyl)amino]-N-(2-methoxyethyl)propanamide?
The canonical SMILES for 3-[(5-chloro-2-pyridinyl)amino]-N-(2-methoxyethyl)propanamide is COCCNC(=O)CCNc1ccc(Cl)cn1.
What is the InChIKey of 3-[(5-chloro-2-pyridinyl)amino]-N-(2-methoxyethyl)propanamide?
The InChIKey is RSDGPCIBBYLDBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O2/c1-17-7-6-14-11(16)4-5-13-10-3-2-9(12)8-15-10/h2-3,8H,4-7H2,1H3,(H,13,15)(H,14,16).
What are the key properties of 3-[(5-chloro-2-pyridinyl)amino]-N-(2-methoxyethyl)propanamide?
3-[(5-chloro-2-pyridinyl)amino]-N-(2-methoxyethyl)propanamide has a molecular weight of 257.72 g/mol, XLogP of 1.30, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-chloro-2-pyridinyl)amino]-N-(2-methoxyethyl)propanamide is sourced from PubChem (CID 75374255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).