N-[(4,6-dichloro-3-pyridinyl)methyl]pyridine-3-carboxamide

C12H9Cl2N3O — CID 178023307

IUPACN-[(4,6-dichloro-3-pyridinyl)methyl]pyridine-3-carboxamide
SMILESO=C(NCc1cnc(Cl)cc1Cl)c1cccnc1
InChIInChI=1S/C12H9Cl2N3O/c13-10-4-11(14)16-6-9(10)7-17-12(18)8-2-1-3-15-5-8/h1-6H,7H2,(H,17,18)
InChIKeyWSPCVOOFWXEIEN-UHFFFAOYSA-N
MW282.13 g/mol
LogP2.71
Rot. Bonds3

About N-[(4,6-dichloro-3-pyridinyl)methyl]pyridine-3-carboxamide

N-[(4,6-dichloro-3-pyridinyl)methyl]pyridine-3-carboxamide (PubChem CID 178023307) has the molecular formula C12H9Cl2N3O and a molecular weight of 282.13 g/mol. Its IUPAC name is N-[(4,6-dichloro-3-pyridinyl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(4,6-dichloro-3-pyridinyl)methyl]pyridine-3-carboxamide
PubChem CID178023307
Molecular FormulaC12H9Cl2N3O
Molecular Weight282.13 g/mol
Exact Mass281.01
IUPAC NameN-[(4,6-dichloro-3-pyridinyl)methyl]pyridine-3-carboxamide
SMILESO=C(NCc1cnc(Cl)cc1Cl)c1cccnc1
InChIInChI=1S/C12H9Cl2N3O/c13-10-4-11(14)16-6-9(10)7-17-12(18)8-2-1-3-15-5-8/h1-6H,7H2,(H,17,18)
InChIKeyWSPCVOOFWXEIEN-UHFFFAOYSA-N
XLogP2.71
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.13
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[(4,6-dichloro-3-pyridinyl)methyl]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

Related Compounds

N-[(2-methyl-3-pyridinyl)methyl]pyridine-3-carboxamide
CID 175769075
N-[2-(2,4-dichlorophenyl)ethyl]pyridine-3-carboxamide
CID 17472910
N-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]pyridine-3-carboxamide
CID 110705421
N-(pyridin-3-ylmethyl)pyridine-3-carboxamide;hydrochloride
CID 110755498
N-benzylpyridine-3-carboxamide chloride
CID 21204170
N-[(5-chloro-2-methoxy-3-methylphenyl)methyl]pyridine-3-carboxamide
CID 110782938
N-(3-chloropropyl)pyridine-3-carboxamide
CID 17164667
N-[2-(benzamidomethyl)phenyl]pyridine-3-carboxamide
CID 108926022
N-[2-[(4-chlorobenzoyl)amino]ethyl]pyridine-3-carboxamide
CID 3975684
N-[(2-chlorophenyl)methyl]-3-(pyridin-3-ylmethoxy)benzamide
CID 55772208
N-[(3-chloro-6-fluoro-1H-indol-5-yl)methyl]pyridine-3-carboxamide;fluoroethane
CID 144880564
N-[(3-iodophenyl)methyl]pyridine-3-carboxamide
CID 125490904

Frequently Asked Questions

What is the IUPAC name of N-[(4,6-dichloro-3-pyridinyl)methyl]pyridine-3-carboxamide?
The IUPAC name of N-[(4,6-dichloro-3-pyridinyl)methyl]pyridine-3-carboxamide (CID 178023307) is N-[(4,6-dichloro-3-pyridinyl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[(4,6-dichloro-3-pyridinyl)methyl]pyridine-3-carboxamide?
The canonical SMILES for N-[(4,6-dichloro-3-pyridinyl)methyl]pyridine-3-carboxamide is O=C(NCc1cnc(Cl)cc1Cl)c1cccnc1.
What is the InChIKey of N-[(4,6-dichloro-3-pyridinyl)methyl]pyridine-3-carboxamide?
The InChIKey is WSPCVOOFWXEIEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl2N3O/c13-10-4-11(14)16-6-9(10)7-17-12(18)8-2-1-3-15-5-8/h1-6H,7H2,(H,17,18).
What are the key properties of N-[(4,6-dichloro-3-pyridinyl)methyl]pyridine-3-carboxamide?
N-[(4,6-dichloro-3-pyridinyl)methyl]pyridine-3-carboxamide has a molecular weight of 282.13 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,6-dichloro-3-pyridinyl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 178023307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).