5-amino-2-fluoro-3-methyl-N-(pyridin-3-ylmethyl)benzamide

C14H14FN3O — CID 103295849

IUPAC5-amino-2-fluoro-3-methyl-N-(pyridin-3-ylmethyl)benzamide
SMILESCc1cc(N)cc(C(=O)NCc2cccnc2)c1F
InChIInChI=1S/C14H14FN3O/c1-9-5-11(16)6-12(13(9)15)14(19)18-8-10-3-2-4-17-7-10/h2-7H,8,16H2,1H3,(H,18,19)
InChIKeySDTRYSRHUBMAFV-UHFFFAOYSA-N
MW259.28 g/mol
LogP2.04
Rot. Bonds3

About 5-amino-2-fluoro-3-methyl-N-(pyridin-3-ylmethyl)benzamide

5-amino-2-fluoro-3-methyl-N-(pyridin-3-ylmethyl)benzamide (PubChem CID 103295849) has the molecular formula C14H14FN3O and a molecular weight of 259.28 g/mol. Its IUPAC name is 5-amino-2-fluoro-3-methyl-N-(pyridin-3-ylmethyl)benzamide.

Molecular Properties

Compound Name5-amino-2-fluoro-3-methyl-N-(pyridin-3-ylmethyl)benzamide
PubChem CID103295849
Molecular FormulaC14H14FN3O
Molecular Weight259.28 g/mol
Exact Mass259.11
IUPAC Name5-amino-2-fluoro-3-methyl-N-(pyridin-3-ylmethyl)benzamide
SMILESCc1cc(N)cc(C(=O)NCc2cccnc2)c1F
InChIInChI=1S/C14H14FN3O/c1-9-5-11(16)6-12(13(9)15)14(19)18-8-10-3-2-4-17-7-10/h2-7H,8,16H2,1H3,(H,18,19)
InChIKeySDTRYSRHUBMAFV-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-2,3-dichloro-N-(pyridin-3-ylmethyl)benzamide
CID 107183451
5-amino-2,4-difluoro-N-(pyridin-3-ylmethyl)benzamide
CID 61095317
3-methyl-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide
CID 110852100
2-fluoro-5-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 62509197
5-amino-2-fluoro-3-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 103296226
2-fluoro-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 107358424
2,3,5,6-tetrafluoro-1-N,4-N-bis(pyridin-3-ylmethyl)benzene-1,4-dicarboxamide
CID 1204787
2-fluoro-N-(pyridin-3-ylmethyl)benzamide
CID 741479
5-amino-2-methyl-N-(2-pyridin-3-ylethyl)benzamide
CID 61290785
2-fluoro-3-methyl-N-[3-(pyridin-3-ylmethylamino)propyl]benzamide;hydrochloride
CID 86779912
5-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-fluoro-3-methylbenzamide
CID 106032747
4-methyl-N-(pyridin-3-ylmethyl)pyrimidine-5-carboxamide
CID 110852055

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-fluoro-3-methyl-N-(pyridin-3-ylmethyl)benzamide?
The IUPAC name of 5-amino-2-fluoro-3-methyl-N-(pyridin-3-ylmethyl)benzamide (CID 103295849) is 5-amino-2-fluoro-3-methyl-N-(pyridin-3-ylmethyl)benzamide.
What is the SMILES notation for 5-amino-2-fluoro-3-methyl-N-(pyridin-3-ylmethyl)benzamide?
The canonical SMILES for 5-amino-2-fluoro-3-methyl-N-(pyridin-3-ylmethyl)benzamide is Cc1cc(N)cc(C(=O)NCc2cccnc2)c1F.
What is the InChIKey of 5-amino-2-fluoro-3-methyl-N-(pyridin-3-ylmethyl)benzamide?
The InChIKey is SDTRYSRHUBMAFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3O/c1-9-5-11(16)6-12(13(9)15)14(19)18-8-10-3-2-4-17-7-10/h2-7H,8,16H2,1H3,(H,18,19).
What are the key properties of 5-amino-2-fluoro-3-methyl-N-(pyridin-3-ylmethyl)benzamide?
5-amino-2-fluoro-3-methyl-N-(pyridin-3-ylmethyl)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-3-methyl-N-(pyridin-3-ylmethyl)benzamide is sourced from PubChem (CID 103295849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).