6-chloro-4-(2,3-dihydro-1,4-benzodioxin-5-ylamino)pyridine-3-carboxamide

C14H12ClN3O3 — CID 175501474

IUPAC6-chloro-4-(2,3-dihydro-1,4-benzodioxin-5-ylamino)pyridine-3-carboxamide
SMILESNC(=O)c1cnc(Cl)cc1Nc1cccc2c1OCCO2
InChIInChI=1S/C14H12ClN3O3/c15-12-6-10(8(7-17-12)14(16)19)18-9-2-1-3-11-13(9)21-5-4-20-11/h1-3,6-7H,4-5H2,(H2,16,19)(H,17,18)
InChIKeyHZTNDWJARISDEE-UHFFFAOYSA-N
MW305.72 g/mol
LogP2.35
Rot. Bonds3

About 6-chloro-4-(2,3-dihydro-1,4-benzodioxin-5-ylamino)pyridine-3-carboxamide

6-chloro-4-(2,3-dihydro-1,4-benzodioxin-5-ylamino)pyridine-3-carboxamide (PubChem CID 175501474) has the molecular formula C14H12ClN3O3 and a molecular weight of 305.72 g/mol. Its IUPAC name is 6-chloro-4-(2,3-dihydro-1,4-benzodioxin-5-ylamino)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-4-(2,3-dihydro-1,4-benzodioxin-5-ylamino)pyridine-3-carboxamide
PubChem CID175501474
Molecular FormulaC14H12ClN3O3
Molecular Weight305.72 g/mol
Exact Mass305.06
IUPAC Name6-chloro-4-(2,3-dihydro-1,4-benzodioxin-5-ylamino)pyridine-3-carboxamide
SMILESNC(=O)c1cnc(Cl)cc1Nc1cccc2c1OCCO2
InChIInChI=1S/C14H12ClN3O3/c15-12-6-10(8(7-17-12)14(16)19)18-9-2-1-3-11-13(9)21-5-4-20-11/h1-3,6-7H,4-5H2,(H2,16,19)(H,17,18)
InChIKeyHZTNDWJARISDEE-UHFFFAOYSA-N
XLogP2.35
TPSA86.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.72
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 6-chloro-4-(2,3-dihydro-1,4-benzodioxin-5-ylamino)pyridine-3-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 6-chloro-4-(2,3-dihydro-1,4-benzodioxin-5-ylamino)pyridine-3-carboxamide?
The IUPAC name of 6-chloro-4-(2,3-dihydro-1,4-benzodioxin-5-ylamino)pyridine-3-carboxamide (CID 175501474) is 6-chloro-4-(2,3-dihydro-1,4-benzodioxin-5-ylamino)pyridine-3-carboxamide.
What is the SMILES notation for 6-chloro-4-(2,3-dihydro-1,4-benzodioxin-5-ylamino)pyridine-3-carboxamide?
The canonical SMILES for 6-chloro-4-(2,3-dihydro-1,4-benzodioxin-5-ylamino)pyridine-3-carboxamide is NC(=O)c1cnc(Cl)cc1Nc1cccc2c1OCCO2.
What is the InChIKey of 6-chloro-4-(2,3-dihydro-1,4-benzodioxin-5-ylamino)pyridine-3-carboxamide?
The InChIKey is HZTNDWJARISDEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3O3/c15-12-6-10(8(7-17-12)14(16)19)18-9-2-1-3-11-13(9)21-5-4-20-11/h1-3,6-7H,4-5H2,(H2,16,19)(H,17,18).
What are the key properties of 6-chloro-4-(2,3-dihydro-1,4-benzodioxin-5-ylamino)pyridine-3-carboxamide?
6-chloro-4-(2,3-dihydro-1,4-benzodioxin-5-ylamino)pyridine-3-carboxamide has a molecular weight of 305.72 g/mol, XLogP of 2.35, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-(2,3-dihydro-1,4-benzodioxin-5-ylamino)pyridine-3-carboxamide is sourced from PubChem (CID 175501474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).