5-amino-2-fluoro-N-[(4-methyl-3-pyridinyl)methyl]benzamide

C14H14FN3O — CID 114954363

IUPAC5-amino-2-fluoro-N-[(4-methyl-3-pyridinyl)methyl]benzamide
SMILESCc1ccncc1CNC(=O)c1cc(N)ccc1F
InChIInChI=1S/C14H14FN3O/c1-9-4-5-17-7-10(9)8-18-14(19)12-6-11(16)2-3-13(12)15/h2-7H,8,16H2,1H3,(H,18,19)
InChIKeyOYPXQJBHVUNVHL-UHFFFAOYSA-N
MW259.28 g/mol
LogP2.04
Rot. Bonds3

About 5-amino-2-fluoro-N-[(4-methyl-3-pyridinyl)methyl]benzamide

5-amino-2-fluoro-N-[(4-methyl-3-pyridinyl)methyl]benzamide (PubChem CID 114954363) has the molecular formula C14H14FN3O and a molecular weight of 259.28 g/mol. Its IUPAC name is 5-amino-2-fluoro-N-[(4-methyl-3-pyridinyl)methyl]benzamide.

Molecular Properties

Compound Name5-amino-2-fluoro-N-[(4-methyl-3-pyridinyl)methyl]benzamide
PubChem CID114954363
Molecular FormulaC14H14FN3O
Molecular Weight259.28 g/mol
Exact Mass259.11
IUPAC Name5-amino-2-fluoro-N-[(4-methyl-3-pyridinyl)methyl]benzamide
SMILESCc1ccncc1CNC(=O)c1cc(N)ccc1F
InChIInChI=1S/C14H14FN3O/c1-9-4-5-17-7-10(9)8-18-14(19)12-6-11(16)2-3-13(12)15/h2-7H,8,16H2,1H3,(H,18,19)
InChIKeyOYPXQJBHVUNVHL-UHFFFAOYSA-N
XLogP2.04
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.28
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-amino-2-fluoro-N-[(2-methylphenyl)methyl]benzamide
CID 60904088
4-amino-2-methoxy-N-[(4-methyl-3-pyridinyl)methyl]benzamide
CID 114954314
2-amino-3-fluoro-N-[(4-methyl-3-pyridinyl)methyl]benzamide
CID 114955918
5-bromo-2-fluoro-N-[(3-methyl-4-pyridinyl)methyl]benzamide
CID 114700595
2-fluoro-4-methoxy-N-[(4-methyl-3-pyridinyl)methyl]benzamide
CID 102882143
3,5-difluoro-4-hydrazinyl-N-[(4-methyl-3-pyridinyl)methyl]benzamide
CID 114957550
5-amino-N-[(4-methyl-3-pyridinyl)methyl]-1H-indazole-3-carboxamide
CID 114954310
2,3-difluoro-N-[(4-methyl-3-pyridinyl)methyl]pyridine-4-carboxamide
CID 105381682
5-amino-1-methyl-N-[(4-methyl-3-pyridinyl)methyl]pyrazole-4-carboxamide
CID 114957256
2-amino-4-methoxy-N-[(4-methyl-3-pyridinyl)methyl]benzamide
CID 114955995
3-amino-4-methyl-N-[(4-methyl-3-pyridinyl)methyl]benzamide
CID 114954315
2-bromo-3-methyl-N-[(4-methyl-3-pyridinyl)methyl]benzamide
CID 107982625

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-fluoro-N-[(4-methyl-3-pyridinyl)methyl]benzamide?
The IUPAC name of 5-amino-2-fluoro-N-[(4-methyl-3-pyridinyl)methyl]benzamide (CID 114954363) is 5-amino-2-fluoro-N-[(4-methyl-3-pyridinyl)methyl]benzamide.
What is the SMILES notation for 5-amino-2-fluoro-N-[(4-methyl-3-pyridinyl)methyl]benzamide?
The canonical SMILES for 5-amino-2-fluoro-N-[(4-methyl-3-pyridinyl)methyl]benzamide is Cc1ccncc1CNC(=O)c1cc(N)ccc1F.
What is the InChIKey of 5-amino-2-fluoro-N-[(4-methyl-3-pyridinyl)methyl]benzamide?
The InChIKey is OYPXQJBHVUNVHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3O/c1-9-4-5-17-7-10(9)8-18-14(19)12-6-11(16)2-3-13(12)15/h2-7H,8,16H2,1H3,(H,18,19).
What are the key properties of 5-amino-2-fluoro-N-[(4-methyl-3-pyridinyl)methyl]benzamide?
5-amino-2-fluoro-N-[(4-methyl-3-pyridinyl)methyl]benzamide has a molecular weight of 259.28 g/mol, XLogP of 2.04, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-fluoro-N-[(4-methyl-3-pyridinyl)methyl]benzamide is sourced from PubChem (CID 114954363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).