2,3-difluoro-N-[(6-methyl-3-pyridinyl)methyl]pyridine-4-carboxamide

C13H11F2N3O — CID 105381189

IUPAC2,3-difluoro-N-[(6-methyl-3-pyridinyl)methyl]pyridine-4-carboxamide
SMILESCc1ccc(CNC(=O)c2ccnc(F)c2F)cn1
InChIInChI=1S/C13H11F2N3O/c1-8-2-3-9(6-17-8)7-18-13(19)10-4-5-16-12(15)11(10)14/h2-6H,7H2,1H3,(H,18,19)
InChIKeyNIOXJEBOPSEMPY-UHFFFAOYSA-N
MW263.25 g/mol
LogP1.99
Rot. Bonds3

About 2,3-difluoro-N-[(6-methyl-3-pyridinyl)methyl]pyridine-4-carboxamide

2,3-difluoro-N-[(6-methyl-3-pyridinyl)methyl]pyridine-4-carboxamide (PubChem CID 105381189) has the molecular formula C13H11F2N3O and a molecular weight of 263.25 g/mol. Its IUPAC name is 2,3-difluoro-N-[(6-methyl-3-pyridinyl)methyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2,3-difluoro-N-[(6-methyl-3-pyridinyl)methyl]pyridine-4-carboxamide
PubChem CID105381189
Molecular FormulaC13H11F2N3O
Molecular Weight263.25 g/mol
Exact Mass263.09
IUPAC Name2,3-difluoro-N-[(6-methyl-3-pyridinyl)methyl]pyridine-4-carboxamide
SMILESCc1ccc(CNC(=O)c2ccnc(F)c2F)cn1
InChIInChI=1S/C13H11F2N3O/c1-8-2-3-9(6-17-8)7-18-13(19)10-4-5-16-12(15)11(10)14/h2-6H,7H2,1H3,(H,18,19)
InChIKeyNIOXJEBOPSEMPY-UHFFFAOYSA-N
XLogP1.99
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.25
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2,3-difluoro-N-[(6-methyl-3-pyridinyl)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

Related Compounds

2,3-difluoro-N-[(4-methyl-3-pyridinyl)methyl]pyridine-4-carboxamide
CID 105381682
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2,3-difluoropyridine-4-carboxamide
CID 103187314
N-[(3-bromophenyl)methyl]-2,3-difluoropyridine-4-carboxamide
CID 105381021
2,5-dihydroxy-N-[(6-methyl-3-pyridinyl)methyl]benzamide
CID 103892047
N-(2-acetamidoethyl)-2,3-difluoropyridine-4-carboxamide
CID 105380387
N-[(3-ethoxyphenyl)methyl]-2,3-difluoropyridine-4-carboxamide
CID 105380764
2,3-difluoro-N-(2-methoxyethyl)pyridine-4-carboxamide
CID 105380129
N-[(6-methyl-3-pyridinyl)methyl]-1,3-thiazole-2-carboxamide
CID 100673789
5-amino-2-(dimethylamino)-N-[(6-methyl-3-pyridinyl)methyl]benzamide
CID 62997396
2,3-difluoro-N-(3-hydroxypropyl)pyridine-4-carboxamide
CID 105380583
N-[(4-fluorophenyl)methyl]-6-methylpyridine-3-carboxamide
CID 18148195
2-amino-5-chloro-N-[(6-methyl-3-pyridinyl)methyl]pyridine-4-carboxamide
CID 114923423

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-N-[(6-methyl-3-pyridinyl)methyl]pyridine-4-carboxamide?
The IUPAC name of 2,3-difluoro-N-[(6-methyl-3-pyridinyl)methyl]pyridine-4-carboxamide (CID 105381189) is 2,3-difluoro-N-[(6-methyl-3-pyridinyl)methyl]pyridine-4-carboxamide.
What is the SMILES notation for 2,3-difluoro-N-[(6-methyl-3-pyridinyl)methyl]pyridine-4-carboxamide?
The canonical SMILES for 2,3-difluoro-N-[(6-methyl-3-pyridinyl)methyl]pyridine-4-carboxamide is Cc1ccc(CNC(=O)c2ccnc(F)c2F)cn1.
What is the InChIKey of 2,3-difluoro-N-[(6-methyl-3-pyridinyl)methyl]pyridine-4-carboxamide?
The InChIKey is NIOXJEBOPSEMPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F2N3O/c1-8-2-3-9(6-17-8)7-18-13(19)10-4-5-16-12(15)11(10)14/h2-6H,7H2,1H3,(H,18,19).
What are the key properties of 2,3-difluoro-N-[(6-methyl-3-pyridinyl)methyl]pyridine-4-carboxamide?
2,3-difluoro-N-[(6-methyl-3-pyridinyl)methyl]pyridine-4-carboxamide has a molecular weight of 263.25 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-N-[(6-methyl-3-pyridinyl)methyl]pyridine-4-carboxamide is sourced from PubChem (CID 105381189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).