N-(3,5-dichloro-6-methyl-2-pyridinyl)-6-fluoropyridine-3-carboxamide

C12H8Cl2FN3O — CID 63978781

IUPACN-(3,5-dichloro-6-methyl-2-pyridinyl)-6-fluoropyridine-3-carboxamide
SMILESCc1nc(NC(=O)c2ccc(F)nc2)c(Cl)cc1Cl
InChIInChI=1S/C12H8Cl2FN3O/c1-6-8(13)4-9(14)11(17-6)18-12(19)7-2-3-10(15)16-5-7/h2-5H,1H3,(H,17,18,19)
InChIKeyGUSPLKAVGPLHBC-UHFFFAOYSA-N
MW300.12 g/mol
LogP3.48
Rot. Bonds2

About N-(3,5-dichloro-6-methyl-2-pyridinyl)-6-fluoropyridine-3-carboxamide

N-(3,5-dichloro-6-methyl-2-pyridinyl)-6-fluoropyridine-3-carboxamide (PubChem CID 63978781) has the molecular formula C12H8Cl2FN3O and a molecular weight of 300.12 g/mol. Its IUPAC name is N-(3,5-dichloro-6-methyl-2-pyridinyl)-6-fluoropyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3,5-dichloro-6-methyl-2-pyridinyl)-6-fluoropyridine-3-carboxamide
PubChem CID63978781
Molecular FormulaC12H8Cl2FN3O
Molecular Weight300.12 g/mol
Exact Mass299.00
IUPAC NameN-(3,5-dichloro-6-methyl-2-pyridinyl)-6-fluoropyridine-3-carboxamide
SMILESCc1nc(NC(=O)c2ccc(F)nc2)c(Cl)cc1Cl
InChIInChI=1S/C12H8Cl2FN3O/c1-6-8(13)4-9(14)11(17-6)18-12(19)7-2-3-10(15)16-5-7/h2-5H,1H3,(H,17,18,19)
InChIKeyGUSPLKAVGPLHBC-UHFFFAOYSA-N
XLogP3.48
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.12
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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

6-bromo-N-(3,5-dichloro-6-methyl-2-pyridinyl)pyridine-3-carboxamide
CID 66462941
2-chloro-N-(3,5-dichloro-6-methyl-2-pyridinyl)pyridine-4-carboxamide
CID 60704914
4-bromo-3-chloro-N-(3,5-dichloro-6-methyl-2-pyridinyl)benzamide
CID 81307974
N-(2,5-dichloro-4-methylphenyl)-6-fluoropyridine-3-carboxamide
CID 115761018
N-(6-chloro-5-methyl-3-pyridinyl)-6-fluoropyridine-3-carboxamide
CID 103745328
N-(3-chloro-2-pyridinyl)-6-fluoropyridine-3-carboxamide
CID 103943564
N-(4,6-dimethylpyrimidin-2-yl)-6-fluoropyridine-3-carboxamide
CID 63971187
N-(3-chloro-4-nitrophenyl)-6-fluoropyridine-3-carboxamide
CID 78962697
N-(3,5-dichloro-6-methyl-2-pyridinyl)-5-iodothiophene-3-carboxamide
CID 79692769
N-(2,6-dibromo-4-methylphenyl)-6-fluoropyridine-3-carboxamide
CID 63973532
6-fluoro-N-(3-methylphenyl)pyridine-3-carboxamide
CID 63972736
N-(2-chloro-5-methylsulfonylphenyl)-6-fluoropyridine-3-carboxamide
CID 63973961

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichloro-6-methyl-2-pyridinyl)-6-fluoropyridine-3-carboxamide?
The IUPAC name of N-(3,5-dichloro-6-methyl-2-pyridinyl)-6-fluoropyridine-3-carboxamide (CID 63978781) is N-(3,5-dichloro-6-methyl-2-pyridinyl)-6-fluoropyridine-3-carboxamide.
What is the SMILES notation for N-(3,5-dichloro-6-methyl-2-pyridinyl)-6-fluoropyridine-3-carboxamide?
The canonical SMILES for N-(3,5-dichloro-6-methyl-2-pyridinyl)-6-fluoropyridine-3-carboxamide is Cc1nc(NC(=O)c2ccc(F)nc2)c(Cl)cc1Cl.
What is the InChIKey of N-(3,5-dichloro-6-methyl-2-pyridinyl)-6-fluoropyridine-3-carboxamide?
The InChIKey is GUSPLKAVGPLHBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl2FN3O/c1-6-8(13)4-9(14)11(17-6)18-12(19)7-2-3-10(15)16-5-7/h2-5H,1H3,(H,17,18,19).
What are the key properties of N-(3,5-dichloro-6-methyl-2-pyridinyl)-6-fluoropyridine-3-carboxamide?
N-(3,5-dichloro-6-methyl-2-pyridinyl)-6-fluoropyridine-3-carboxamide has a molecular weight of 300.12 g/mol, XLogP of 3.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichloro-6-methyl-2-pyridinyl)-6-fluoropyridine-3-carboxamide is sourced from PubChem (CID 63978781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).