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

C13H12FN3O — CID 114699456

IUPAC6-fluoro-N-[(3-methyl-4-pyridinyl)methyl]pyridine-2-carboxamide
SMILESCc1cnccc1CNC(=O)c1cccc(F)n1
InChIInChI=1S/C13H12FN3O/c1-9-7-15-6-5-10(9)8-16-13(18)11-3-2-4-12(14)17-11/h2-7H,8H2,1H3,(H,16,18)
InChIKeyWVFHQPVTJKGFCD-UHFFFAOYSA-N
MW245.26 g/mol
LogP1.85
Rot. Bonds3

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

6-fluoro-N-[(3-methyl-4-pyridinyl)methyl]pyridine-2-carboxamide (PubChem CID 114699456) has the molecular formula C13H12FN3O and a molecular weight of 245.26 g/mol. Its IUPAC name is 6-fluoro-N-[(3-methyl-4-pyridinyl)methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-fluoro-N-[(3-methyl-4-pyridinyl)methyl]pyridine-2-carboxamide
PubChem CID114699456
Molecular FormulaC13H12FN3O
Molecular Weight245.26 g/mol
Exact Mass245.10
IUPAC Name6-fluoro-N-[(3-methyl-4-pyridinyl)methyl]pyridine-2-carboxamide
SMILESCc1cnccc1CNC(=O)c1cccc(F)n1
InChIInChI=1S/C13H12FN3O/c1-9-7-15-6-5-10(9)8-16-13(18)11-3-2-4-12(14)17-11/h2-7H,8H2,1H3,(H,16,18)
InChIKeyWVFHQPVTJKGFCD-UHFFFAOYSA-N
XLogP1.85
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.26
LogP ≤ 51.85
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-[(3-methyl-4-pyridinyl)methyl]-6-(propylamino)pyridine-2-carboxamide
CID 114701818
3-hydroxy-2-methyl-N-[(3-methyl-4-pyridinyl)methyl]benzamide
CID 114700649
2-hydroxy-3-methyl-N-[(3-methyl-4-pyridinyl)methyl]benzamide
CID 114700654
6-fluoro-N-[(2-fluorophenyl)methyl]pyridine-2-carboxamide
CID 115496596
3,4,5-trifluoro-N-[(3-methyl-4-pyridinyl)methyl]benzamide
CID 114699471
2-bromo-N-[(3-methyl-4-pyridinyl)methyl]benzamide
CID 114700594
N-[(2,5-difluorophenyl)methyl]-6-fluoropyridine-2-carboxamide
CID 113323609
6-[(3-methyl-4-pyridinyl)methylcarbamoyl]pyridine-3-carboxylic acid
CID 114701610
4-fluoro-2-hydroxy-N-[(3-methyl-4-pyridinyl)methyl]benzamide
CID 104957562
6-fluoro-N-[(5-methylthiophen-2-yl)methyl]pyridine-2-carboxamide
CID 115497750
2-amino-4-fluoro-N-[(3-methyl-4-pyridinyl)methyl]benzamide
CID 114698170
5-bromo-2-fluoro-N-[(3-methyl-4-pyridinyl)methyl]benzamide
CID 114700595

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-[(3-methyl-4-pyridinyl)methyl]pyridine-2-carboxamide?
The IUPAC name of 6-fluoro-N-[(3-methyl-4-pyridinyl)methyl]pyridine-2-carboxamide (CID 114699456) is 6-fluoro-N-[(3-methyl-4-pyridinyl)methyl]pyridine-2-carboxamide.
What is the SMILES notation for 6-fluoro-N-[(3-methyl-4-pyridinyl)methyl]pyridine-2-carboxamide?
The canonical SMILES for 6-fluoro-N-[(3-methyl-4-pyridinyl)methyl]pyridine-2-carboxamide is Cc1cnccc1CNC(=O)c1cccc(F)n1.
What is the InChIKey of 6-fluoro-N-[(3-methyl-4-pyridinyl)methyl]pyridine-2-carboxamide?
The InChIKey is WVFHQPVTJKGFCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FN3O/c1-9-7-15-6-5-10(9)8-16-13(18)11-3-2-4-12(14)17-11/h2-7H,8H2,1H3,(H,16,18).
What are the key properties of 6-fluoro-N-[(3-methyl-4-pyridinyl)methyl]pyridine-2-carboxamide?
6-fluoro-N-[(3-methyl-4-pyridinyl)methyl]pyridine-2-carboxamide has a molecular weight of 245.26 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-[(3-methyl-4-pyridinyl)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 114699456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).