2-[(6-chloro-2-pyridinyl)amino]-N-ethylacetamide

C9H12ClN3O — CID 63588208

IUPAC2-[(6-chloro-2-pyridinyl)amino]-N-ethylacetamide
SMILESCCNC(=O)CNc1cccc(Cl)n1
InChIInChI=1S/C9H12ClN3O/c1-2-11-9(14)6-12-8-5-3-4-7(10)13-8/h3-5H,2,6H2,1H3,(H,11,14)(H,12,13)
InChIKeySPBFZHOLPIXPKI-UHFFFAOYSA-N
MW213.67 g/mol
LogP1.28
Rot. Bonds4

About 2-[(6-chloro-2-pyridinyl)amino]-N-ethylacetamide

2-[(6-chloro-2-pyridinyl)amino]-N-ethylacetamide (PubChem CID 63588208) has the molecular formula C9H12ClN3O and a molecular weight of 213.67 g/mol. Its IUPAC name is 2-[(6-chloro-2-pyridinyl)amino]-N-ethylacetamide.

Molecular Properties

Compound Name2-[(6-chloro-2-pyridinyl)amino]-N-ethylacetamide
PubChem CID63588208
Molecular FormulaC9H12ClN3O
Molecular Weight213.67 g/mol
Exact Mass213.07
IUPAC Name2-[(6-chloro-2-pyridinyl)amino]-N-ethylacetamide
SMILESCCNC(=O)CNc1cccc(Cl)n1
InChIInChI=1S/C9H12ClN3O/c1-2-11-9(14)6-12-8-5-3-4-7(10)13-8/h3-5H,2,6H2,1H3,(H,11,14)(H,12,13)
InChIKeySPBFZHOLPIXPKI-UHFFFAOYSA-N
XLogP1.28
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.67
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[(6-chloro-2-pyridinyl)amino]-N-ethylacetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloro-2-pyridinyl)amino]-N-ethylacetamide?
The IUPAC name of 2-[(6-chloro-2-pyridinyl)amino]-N-ethylacetamide (CID 63588208) is 2-[(6-chloro-2-pyridinyl)amino]-N-ethylacetamide.
What is the SMILES notation for 2-[(6-chloro-2-pyridinyl)amino]-N-ethylacetamide?
The canonical SMILES for 2-[(6-chloro-2-pyridinyl)amino]-N-ethylacetamide is CCNC(=O)CNc1cccc(Cl)n1.
What is the InChIKey of 2-[(6-chloro-2-pyridinyl)amino]-N-ethylacetamide?
The InChIKey is SPBFZHOLPIXPKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN3O/c1-2-11-9(14)6-12-8-5-3-4-7(10)13-8/h3-5H,2,6H2,1H3,(H,11,14)(H,12,13).
What are the key properties of 2-[(6-chloro-2-pyridinyl)amino]-N-ethylacetamide?
2-[(6-chloro-2-pyridinyl)amino]-N-ethylacetamide has a molecular weight of 213.67 g/mol, XLogP of 1.28, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-chloro-2-pyridinyl)amino]-N-ethylacetamide is sourced from PubChem (CID 63588208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).