5-amino-2-chloro-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyridine-4-carboxamide

C11H11ClN4O2 — CID 114089461

IUPAC5-amino-2-chloro-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyridine-4-carboxamide
SMILESCc1cc(CNC(=O)c2cc(Cl)ncc2N)on1
InChIInChI=1S/C11H11ClN4O2/c1-6-2-7(18-16-6)4-15-11(17)8-3-10(12)14-5-9(8)13/h2-3,5H,4,13H2,1H3,(H,15,17)
InChIKeyUSCNNPOVAORFIH-UHFFFAOYSA-N
MW266.69 g/mol
LogP1.54
Rot. Bonds3

About 5-amino-2-chloro-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyridine-4-carboxamide

5-amino-2-chloro-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyridine-4-carboxamide (PubChem CID 114089461) has the molecular formula C11H11ClN4O2 and a molecular weight of 266.69 g/mol. Its IUPAC name is 5-amino-2-chloro-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name5-amino-2-chloro-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyridine-4-carboxamide
PubChem CID114089461
Molecular FormulaC11H11ClN4O2
Molecular Weight266.69 g/mol
Exact Mass266.06
IUPAC Name5-amino-2-chloro-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyridine-4-carboxamide
SMILESCc1cc(CNC(=O)c2cc(Cl)ncc2N)on1
InChIInChI=1S/C11H11ClN4O2/c1-6-2-7(18-16-6)4-15-11(17)8-3-10(12)14-5-9(8)13/h2-3,5H,4,13H2,1H3,(H,15,17)
InChIKeyUSCNNPOVAORFIH-UHFFFAOYSA-N
XLogP1.54
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.69
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-amino-2-chloro-N-[(3-methyl-1,2-oxazol-5-yl)methyl]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 5-amino-2-chloro-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyridine-4-carboxamide?
The IUPAC name of 5-amino-2-chloro-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyridine-4-carboxamide (CID 114089461) is 5-amino-2-chloro-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyridine-4-carboxamide.
What is the SMILES notation for 5-amino-2-chloro-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyridine-4-carboxamide?
The canonical SMILES for 5-amino-2-chloro-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyridine-4-carboxamide is Cc1cc(CNC(=O)c2cc(Cl)ncc2N)on1.
What is the InChIKey of 5-amino-2-chloro-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyridine-4-carboxamide?
The InChIKey is USCNNPOVAORFIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN4O2/c1-6-2-7(18-16-6)4-15-11(17)8-3-10(12)14-5-9(8)13/h2-3,5H,4,13H2,1H3,(H,15,17).
What are the key properties of 5-amino-2-chloro-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyridine-4-carboxamide?
5-amino-2-chloro-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyridine-4-carboxamide has a molecular weight of 266.69 g/mol, XLogP of 1.54, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-chloro-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyridine-4-carboxamide is sourced from PubChem (CID 114089461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).