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

C13H11F2N3O — CID 105381682

IUPAC2,3-difluoro-N-[(4-methyl-3-pyridinyl)methyl]pyridine-4-carboxamide
SMILESCc1ccncc1CNC(=O)c1ccnc(F)c1F
InChIInChI=1S/C13H11F2N3O/c1-8-2-4-16-6-9(8)7-18-13(19)10-3-5-17-12(15)11(10)14/h2-6H,7H2,1H3,(H,18,19)
InChIKeyOSUSJAGSIRIKIN-UHFFFAOYSA-N
MW263.25 g/mol
LogP1.99
Rot. Bonds3

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

2,3-difluoro-N-[(4-methyl-3-pyridinyl)methyl]pyridine-4-carboxamide (PubChem CID 105381682) has the molecular formula C13H11F2N3O and a molecular weight of 263.25 g/mol. Its IUPAC name is 2,3-difluoro-N-[(4-methyl-3-pyridinyl)methyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2,3-difluoro-N-[(4-methyl-3-pyridinyl)methyl]pyridine-4-carboxamide
PubChem CID105381682
Molecular FormulaC13H11F2N3O
Molecular Weight263.25 g/mol
Exact Mass263.09
IUPAC Name2,3-difluoro-N-[(4-methyl-3-pyridinyl)methyl]pyridine-4-carboxamide
SMILESCc1ccncc1CNC(=O)c1ccnc(F)c1F
InChIInChI=1S/C13H11F2N3O/c1-8-2-4-16-6-9(8)7-18-13(19)10-3-5-17-12(15)11(10)14/h2-6H,7H2,1H3,(H,18,19)
InChIKeyOSUSJAGSIRIKIN-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'}

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Related Compounds

N-[(1,5-dimethylpyrazol-4-yl)methyl]-2,3-difluoropyridine-4-carboxamide
CID 103187314
2-(ethylamino)-3-fluoro-N-[(3-methyl-4-pyridinyl)methyl]pyridine-4-carboxamide
CID 105387704
3-(ethylamino)-N-[(4-methyl-3-pyridinyl)methyl]pyridine-4-carboxamide
CID 105071500
2,3-difluoro-N-[(6-methyl-3-pyridinyl)methyl]pyridine-4-carboxamide
CID 105381189
2-amino-3-fluoro-N-[(4-methyl-3-pyridinyl)methyl]benzamide
CID 114955918
5-amino-2-fluoro-N-[(4-methyl-3-pyridinyl)methyl]benzamide
CID 114954363
2-hydroxy-3-methyl-N-[(4-methyl-3-pyridinyl)methyl]benzamide
CID 114956373
2-fluoro-4-methoxy-N-[(4-methyl-3-pyridinyl)methyl]benzamide
CID 102882143
2-bromo-3-methyl-N-[(4-methyl-3-pyridinyl)methyl]benzamide
CID 107982625
2-bromo-N-[(4-methyl-3-pyridinyl)methyl]pyridine-4-carboxamide
CID 114037435
2-(ethylamino)-N-[(4-methyl-3-pyridinyl)methyl]pyridine-3-carboxamide
CID 114957515
4-[(4-methyl-3-pyridinyl)methylcarbamoyl]benzoic acid
CID 114957277

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-N-[(4-methyl-3-pyridinyl)methyl]pyridine-4-carboxamide?
The IUPAC name of 2,3-difluoro-N-[(4-methyl-3-pyridinyl)methyl]pyridine-4-carboxamide (CID 105381682) is 2,3-difluoro-N-[(4-methyl-3-pyridinyl)methyl]pyridine-4-carboxamide.
What is the SMILES notation for 2,3-difluoro-N-[(4-methyl-3-pyridinyl)methyl]pyridine-4-carboxamide?
The canonical SMILES for 2,3-difluoro-N-[(4-methyl-3-pyridinyl)methyl]pyridine-4-carboxamide is Cc1ccncc1CNC(=O)c1ccnc(F)c1F.
What is the InChIKey of 2,3-difluoro-N-[(4-methyl-3-pyridinyl)methyl]pyridine-4-carboxamide?
The InChIKey is OSUSJAGSIRIKIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F2N3O/c1-8-2-4-16-6-9(8)7-18-13(19)10-3-5-17-12(15)11(10)14/h2-6H,7H2,1H3,(H,18,19).
What are the key properties of 2,3-difluoro-N-[(4-methyl-3-pyridinyl)methyl]pyridine-4-carboxamide?
2,3-difluoro-N-[(4-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-[(4-methyl-3-pyridinyl)methyl]pyridine-4-carboxamide is sourced from PubChem (CID 105381682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).