2-amino-N-[(3-ethyl-2-pyridinyl)methyl]-5-fluorobenzamide

C15H16FN3O — CID 82741369

IUPAC2-amino-N-[(3-ethyl-2-pyridinyl)methyl]-5-fluorobenzamide
SMILESCCc1cccnc1CNC(=O)c1cc(F)ccc1N
InChIInChI=1S/C15H16FN3O/c1-2-10-4-3-7-18-14(10)9-19-15(20)12-8-11(16)5-6-13(12)17/h3-8H,2,9,17H2,1H3,(H,19,20)
InChIKeyNSZRQKWZNLIQTG-UHFFFAOYSA-N
MW273.31 g/mol
LogP2.30
Rot. Bonds4

About 2-amino-N-[(3-ethyl-2-pyridinyl)methyl]-5-fluorobenzamide

2-amino-N-[(3-ethyl-2-pyridinyl)methyl]-5-fluorobenzamide (PubChem CID 82741369) has the molecular formula C15H16FN3O and a molecular weight of 273.31 g/mol. Its IUPAC name is 2-amino-N-[(3-ethyl-2-pyridinyl)methyl]-5-fluorobenzamide.

Molecular Properties

Compound Name2-amino-N-[(3-ethyl-2-pyridinyl)methyl]-5-fluorobenzamide
PubChem CID82741369
Molecular FormulaC15H16FN3O
Molecular Weight273.31 g/mol
Exact Mass273.13
IUPAC Name2-amino-N-[(3-ethyl-2-pyridinyl)methyl]-5-fluorobenzamide
SMILESCCc1cccnc1CNC(=O)c1cc(F)ccc1N
InChIInChI=1S/C15H16FN3O/c1-2-10-4-3-7-18-14(10)9-19-15(20)12-8-11(16)5-6-13(12)17/h3-8H,2,9,17H2,1H3,(H,19,20)
InChIKeyNSZRQKWZNLIQTG-UHFFFAOYSA-N
XLogP2.30
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-amino-N-[(3-ethyl-2-pyridinyl)methyl]-5-fluorobenzamide 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-amino-5-chloro-N-[(3-ethyl-2-pyridinyl)methyl]benzamide
CID 82741526
3-amino-N-[(3-ethyl-2-pyridinyl)methyl]pyridine-2-carboxamide
CID 104742770
2-amino-5-bromo-N-[(3-ethyl-2-pyridinyl)methyl]pyridine-3-carboxamide
CID 82743986
2-amino-5-fluoro-N-(pyridin-2-ylmethyl)benzamide
CID 43132619
3-amino-N-[(3-ethyl-2-pyridinyl)methyl]-5-fluoro-4-methylbenzamide
CID 82733555
2-bromo-N-[(3-ethyl-2-pyridinyl)methyl]-6-fluorobenzamide
CID 114559709
2-bromo-N-[(3-ethyl-2-pyridinyl)methyl]furan-3-carboxamide
CID 106854223
4-fluoro-2-methyl-N-[(3-methyl-2-pyridinyl)methyl]benzamide
CID 113268641
N-[(3-ethyl-2-pyridinyl)methyl]-4-hydrazinyl-6-methylpyridine-3-carboxamide
CID 82734476
2-amino-5-fluoro-N-(pyrimidin-4-ylmethyl)benzamide
CID 114110306
2-amino-5-methoxy-N-[(3-methyl-2-pyridinyl)methyl]benzamide
CID 63304829
N-[(3-ethyl-2-pyridinyl)methyl]-4-methyl-2-(methylamino)benzamide
CID 82733988

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(3-ethyl-2-pyridinyl)methyl]-5-fluorobenzamide?
The IUPAC name of 2-amino-N-[(3-ethyl-2-pyridinyl)methyl]-5-fluorobenzamide (CID 82741369) is 2-amino-N-[(3-ethyl-2-pyridinyl)methyl]-5-fluorobenzamide.
What is the SMILES notation for 2-amino-N-[(3-ethyl-2-pyridinyl)methyl]-5-fluorobenzamide?
The canonical SMILES for 2-amino-N-[(3-ethyl-2-pyridinyl)methyl]-5-fluorobenzamide is CCc1cccnc1CNC(=O)c1cc(F)ccc1N.
What is the InChIKey of 2-amino-N-[(3-ethyl-2-pyridinyl)methyl]-5-fluorobenzamide?
The InChIKey is NSZRQKWZNLIQTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O/c1-2-10-4-3-7-18-14(10)9-19-15(20)12-8-11(16)5-6-13(12)17/h3-8H,2,9,17H2,1H3,(H,19,20).
What are the key properties of 2-amino-N-[(3-ethyl-2-pyridinyl)methyl]-5-fluorobenzamide?
2-amino-N-[(3-ethyl-2-pyridinyl)methyl]-5-fluorobenzamide has a molecular weight of 273.31 g/mol, XLogP of 2.30, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(3-ethyl-2-pyridinyl)methyl]-5-fluorobenzamide is sourced from PubChem (CID 82741369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).