3-[[(3-ethyl-2-pyridinyl)methylamino]methyl]-4-fluorobenzamide

C16H18FN3O — CID 82736523

IUPAC3-[[(3-ethyl-2-pyridinyl)methylamino]methyl]-4-fluorobenzamide
SMILESCCc1cccnc1CNCc1cc(C(N)=O)ccc1F
InChIInChI=1S/C16H18FN3O/c1-2-11-4-3-7-20-15(11)10-19-9-13-8-12(16(18)21)5-6-14(13)17/h3-8,19H,2,9-10H2,1H3,(H2,18,21)
InChIKeyJOVZDEINEBEPHJ-UHFFFAOYSA-N
MW287.34 g/mol
LogP2.17
Rot. Bonds6

About 3-[[(3-ethyl-2-pyridinyl)methylamino]methyl]-4-fluorobenzamide

3-[[(3-ethyl-2-pyridinyl)methylamino]methyl]-4-fluorobenzamide (PubChem CID 82736523) has the molecular formula C16H18FN3O and a molecular weight of 287.34 g/mol. Its IUPAC name is 3-[[(3-ethyl-2-pyridinyl)methylamino]methyl]-4-fluorobenzamide.

Molecular Properties

Compound Name3-[[(3-ethyl-2-pyridinyl)methylamino]methyl]-4-fluorobenzamide
PubChem CID82736523
Molecular FormulaC16H18FN3O
Molecular Weight287.34 g/mol
Exact Mass287.14
IUPAC Name3-[[(3-ethyl-2-pyridinyl)methylamino]methyl]-4-fluorobenzamide
SMILESCCc1cccnc1CNCc1cc(C(N)=O)ccc1F
InChIInChI=1S/C16H18FN3O/c1-2-11-4-3-7-20-15(11)10-19-9-13-8-12(16(18)21)5-6-14(13)17/h3-8,19H,2,9-10H2,1H3,(H2,18,21)
InChIKeyJOVZDEINEBEPHJ-UHFFFAOYSA-N
XLogP2.17
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-4-[[(3-methyl-2-pyridinyl)methylamino]methyl]benzamide
CID 63306626
4-fluoro-3-[[(6-methyl-3-pyridinyl)methylamino]methyl]benzamide
CID 62996754
4-fluoro-3-[[(2-methoxy-3-pyridinyl)methylamino]methyl]benzoic acid
CID 107452324
2-amino-5-[(3-ethyl-2-pyridinyl)methylamino]-4-fluorobenzamide
CID 82729877
1-(4-chloro-3-fluorophenyl)-N-[(3-ethyl-2-pyridinyl)methyl]methanamine
CID 82732090
3-[(2,3-dimethylbutylamino)methyl]-4-fluorobenzamide
CID 64570943
4-fluoro-3-[(2-methoxyethylamino)methyl]benzamide
CID 28565646
3-[[(3-bromophenyl)methylamino]methyl]-4-fluorobenzamide
CID 61401068
4-[(3-ethyl-2-pyridinyl)methylamino]-3,5-difluorobenzoic acid
CID 82737243
4-fluoro-3-[(2-methylsulfinylpropylamino)methyl]benzamide
CID 113484065
1-(3,4-difluorophenyl)-2-[(3-ethyl-2-pyridinyl)methylamino]ethanol
CID 82736077
4-fluoro-3-[(3-hydroxypropylamino)methyl]benzamide
CID 43499997

Frequently Asked Questions

What is the IUPAC name of 3-[[(3-ethyl-2-pyridinyl)methylamino]methyl]-4-fluorobenzamide?
The IUPAC name of 3-[[(3-ethyl-2-pyridinyl)methylamino]methyl]-4-fluorobenzamide (CID 82736523) is 3-[[(3-ethyl-2-pyridinyl)methylamino]methyl]-4-fluorobenzamide.
What is the SMILES notation for 3-[[(3-ethyl-2-pyridinyl)methylamino]methyl]-4-fluorobenzamide?
The canonical SMILES for 3-[[(3-ethyl-2-pyridinyl)methylamino]methyl]-4-fluorobenzamide is CCc1cccnc1CNCc1cc(C(N)=O)ccc1F.
What is the InChIKey of 3-[[(3-ethyl-2-pyridinyl)methylamino]methyl]-4-fluorobenzamide?
The InChIKey is JOVZDEINEBEPHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O/c1-2-11-4-3-7-20-15(11)10-19-9-13-8-12(16(18)21)5-6-14(13)17/h3-8,19H,2,9-10H2,1H3,(H2,18,21).
What are the key properties of 3-[[(3-ethyl-2-pyridinyl)methylamino]methyl]-4-fluorobenzamide?
3-[[(3-ethyl-2-pyridinyl)methylamino]methyl]-4-fluorobenzamide has a molecular weight of 287.34 g/mol, XLogP of 2.17, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(3-ethyl-2-pyridinyl)methylamino]methyl]-4-fluorobenzamide is sourced from PubChem (CID 82736523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).