2-chloro-N-ethyl-6-(ethylamino)pyridine-4-carboxamide

C10H14ClN3O — CID 62172199

IUPAC2-chloro-N-ethyl-6-(ethylamino)pyridine-4-carboxamide
SMILESCCNC(=O)c1cc(Cl)nc(NCC)c1
InChIInChI=1S/C10H14ClN3O/c1-3-12-9-6-7(5-8(11)14-9)10(15)13-4-2/h5-6H,3-4H2,1-2H3,(H,12,14)(H,13,15)
InChIKeyFUATXGPPOBNQPI-UHFFFAOYSA-N
MW227.69 g/mol
LogP1.92
Rot. Bonds4

About 2-chloro-N-ethyl-6-(ethylamino)pyridine-4-carboxamide

2-chloro-N-ethyl-6-(ethylamino)pyridine-4-carboxamide (PubChem CID 62172199) has the molecular formula C10H14ClN3O and a molecular weight of 227.69 g/mol. Its IUPAC name is 2-chloro-N-ethyl-6-(ethylamino)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-ethyl-6-(ethylamino)pyridine-4-carboxamide
PubChem CID62172199
Molecular FormulaC10H14ClN3O
Molecular Weight227.69 g/mol
Exact Mass227.08
IUPAC Name2-chloro-N-ethyl-6-(ethylamino)pyridine-4-carboxamide
SMILESCCNC(=O)c1cc(Cl)nc(NCC)c1
InChIInChI=1S/C10H14ClN3O/c1-3-12-9-6-7(5-8(11)14-9)10(15)13-4-2/h5-6H,3-4H2,1-2H3,(H,12,14)(H,13,15)
InChIKeyFUATXGPPOBNQPI-UHFFFAOYSA-N
XLogP1.92
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-chloro-N-ethyl-6-(ethylamino)pyridine-4-carboxamide 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-chloro-N-ethyl-6-(ethylamino)pyridine-4-carboxamide?
The IUPAC name of 2-chloro-N-ethyl-6-(ethylamino)pyridine-4-carboxamide (CID 62172199) is 2-chloro-N-ethyl-6-(ethylamino)pyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-N-ethyl-6-(ethylamino)pyridine-4-carboxamide?
The canonical SMILES for 2-chloro-N-ethyl-6-(ethylamino)pyridine-4-carboxamide is CCNC(=O)c1cc(Cl)nc(NCC)c1.
What is the InChIKey of 2-chloro-N-ethyl-6-(ethylamino)pyridine-4-carboxamide?
The InChIKey is FUATXGPPOBNQPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O/c1-3-12-9-6-7(5-8(11)14-9)10(15)13-4-2/h5-6H,3-4H2,1-2H3,(H,12,14)(H,13,15).
What are the key properties of 2-chloro-N-ethyl-6-(ethylamino)pyridine-4-carboxamide?
2-chloro-N-ethyl-6-(ethylamino)pyridine-4-carboxamide has a molecular weight of 227.69 g/mol, XLogP of 1.92, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-ethyl-6-(ethylamino)pyridine-4-carboxamide is sourced from PubChem (CID 62172199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).