2,5-dichloro-N-(6-methoxy-3-pyridinyl)pyridine-4-carboxamide

C12H9Cl2N3O2 — CID 114917038

IUPAC2,5-dichloro-N-(6-methoxy-3-pyridinyl)pyridine-4-carboxamide
SMILESCOc1ccc(NC(=O)c2cc(Cl)ncc2Cl)cn1
InChIInChI=1S/C12H9Cl2N3O2/c1-19-11-3-2-7(5-16-11)17-12(18)8-4-10(14)15-6-9(8)13/h2-6H,1H3,(H,17,18)
InChIKeyAOMHAVXRTKBOPK-UHFFFAOYSA-N
MW298.13 g/mol
LogP3.04
Rot. Bonds3

About 2,5-dichloro-N-(6-methoxy-3-pyridinyl)pyridine-4-carboxamide

2,5-dichloro-N-(6-methoxy-3-pyridinyl)pyridine-4-carboxamide (PubChem CID 114917038) has the molecular formula C12H9Cl2N3O2 and a molecular weight of 298.13 g/mol. Its IUPAC name is 2,5-dichloro-N-(6-methoxy-3-pyridinyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2,5-dichloro-N-(6-methoxy-3-pyridinyl)pyridine-4-carboxamide
PubChem CID114917038
Molecular FormulaC12H9Cl2N3O2
Molecular Weight298.13 g/mol
Exact Mass297.01
IUPAC Name2,5-dichloro-N-(6-methoxy-3-pyridinyl)pyridine-4-carboxamide
SMILESCOc1ccc(NC(=O)c2cc(Cl)ncc2Cl)cn1
InChIInChI=1S/C12H9Cl2N3O2/c1-19-11-3-2-7(5-16-11)17-12(18)8-4-10(14)15-6-9(8)13/h2-6H,1H3,(H,17,18)
InChIKeyAOMHAVXRTKBOPK-UHFFFAOYSA-N
XLogP3.04
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.13
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2,5-dichloro-N-(6-methoxy-3-pyridinyl)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

Related Compounds

N-[4-(carbamoylamino)phenyl]-2,5-dichloropyridine-4-carboxamide
CID 114917802
2-chloro-N-(6-methoxy-3-pyridinyl)-4-nitrobenzamide
CID 26515816
2,5-dichloro-N-[4-(methylcarbamoyl)phenyl]pyridine-4-carboxamide
CID 114917530
2-chloro-5-[(2,5-dichloropyridine-4-carbonyl)amino]benzoic acid
CID 114917869
2,5-dichloro-N-(4-fluoro-2-methoxyphenyl)pyridine-4-carboxamide
CID 114918264
5-amino-N-(6-methoxy-3-pyridinyl)-2,4-dimethylbenzamide
CID 102704818
2-bromo-5-methoxy-N-(6-methoxy-3-pyridinyl)benzamide
CID 27645934
2,5-dichloro-N-(1-methyl-6-oxo-3-pyridinyl)pyridine-4-carboxamide
CID 114917371
2-chloro-7-fluoro-N-(6-methoxy-3-pyridinyl)quinoline-3-carboxamide
CID 110301899
2,3,3-trichloro-N-(6-methoxy-3-pyridinyl)prop-2-enamide
CID 3780869
3,5-diamino-N-(6-methoxy-3-pyridinyl)benzamide
CID 61090732
2-amino-N-(6-chloro-3-pyridinyl)-4,5-dimethoxybenzamide
CID 115279862

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-(6-methoxy-3-pyridinyl)pyridine-4-carboxamide?
The IUPAC name of 2,5-dichloro-N-(6-methoxy-3-pyridinyl)pyridine-4-carboxamide (CID 114917038) is 2,5-dichloro-N-(6-methoxy-3-pyridinyl)pyridine-4-carboxamide.
What is the SMILES notation for 2,5-dichloro-N-(6-methoxy-3-pyridinyl)pyridine-4-carboxamide?
The canonical SMILES for 2,5-dichloro-N-(6-methoxy-3-pyridinyl)pyridine-4-carboxamide is COc1ccc(NC(=O)c2cc(Cl)ncc2Cl)cn1.
What is the InChIKey of 2,5-dichloro-N-(6-methoxy-3-pyridinyl)pyridine-4-carboxamide?
The InChIKey is AOMHAVXRTKBOPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl2N3O2/c1-19-11-3-2-7(5-16-11)17-12(18)8-4-10(14)15-6-9(8)13/h2-6H,1H3,(H,17,18).
What are the key properties of 2,5-dichloro-N-(6-methoxy-3-pyridinyl)pyridine-4-carboxamide?
2,5-dichloro-N-(6-methoxy-3-pyridinyl)pyridine-4-carboxamide has a molecular weight of 298.13 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-(6-methoxy-3-pyridinyl)pyridine-4-carboxamide is sourced from PubChem (CID 114917038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).