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

C16H18FN3O — CID 82733555

IUPAC3-amino-N-[(3-ethyl-2-pyridinyl)methyl]-5-fluoro-4-methylbenzamide
SMILESCCc1cccnc1CNC(=O)c1cc(N)c(C)c(F)c1
InChIInChI=1S/C16H18FN3O/c1-3-11-5-4-6-19-15(11)9-20-16(21)12-7-13(17)10(2)14(18)8-12/h4-8H,3,9,18H2,1-2H3,(H,20,21)
InChIKeyIFHBLCYFYIEPPU-UHFFFAOYSA-N
MW287.34 g/mol
LogP2.60
Rot. Bonds4

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

3-amino-N-[(3-ethyl-2-pyridinyl)methyl]-5-fluoro-4-methylbenzamide (PubChem CID 82733555) has the molecular formula C16H18FN3O and a molecular weight of 287.34 g/mol. Its IUPAC name is 3-amino-N-[(3-ethyl-2-pyridinyl)methyl]-5-fluoro-4-methylbenzamide.

Molecular Properties

Compound Name3-amino-N-[(3-ethyl-2-pyridinyl)methyl]-5-fluoro-4-methylbenzamide
PubChem CID82733555
Molecular FormulaC16H18FN3O
Molecular Weight287.34 g/mol
Exact Mass287.14
IUPAC Name3-amino-N-[(3-ethyl-2-pyridinyl)methyl]-5-fluoro-4-methylbenzamide
SMILESCCc1cccnc1CNC(=O)c1cc(N)c(C)c(F)c1
InChIInChI=1S/C16H18FN3O/c1-3-11-5-4-6-19-15(11)9-20-16(21)12-7-13(17)10(2)14(18)8-12/h4-8H,3,9,18H2,1-2H3,(H,20,21)
InChIKeyIFHBLCYFYIEPPU-UHFFFAOYSA-N
XLogP2.60
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 52.60
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

3-amino-5-fluoro-N-[(2-fluorophenyl)methyl]-4-methylbenzamide
CID 60862693
4-amino-3,5-difluoro-N-[(3-methyl-2-pyridinyl)methyl]benzamide
CID 63309173
2-amino-N-[(3-ethyl-2-pyridinyl)methyl]-5-fluorobenzamide
CID 82741369
3-amino-5-fluoro-4-methyl-N-(pyridazin-3-ylmethyl)benzamide
CID 106894540
3-amino-N-[(3-ethyl-2-pyridinyl)methyl]pyridine-2-carboxamide
CID 104742770
3-amino-N-[(3-ethyl-2-pyridinyl)methyl]-5-methoxybenzamide
CID 82733532
2-amino-5-chloro-N-[(3-ethyl-2-pyridinyl)methyl]benzamide
CID 82741526
N-[(3-ethyl-2-pyridinyl)methyl]-4-(methylamino)benzamide
CID 82743343
2-(aminomethyl)-N-[(3-ethyl-2-pyridinyl)methyl]pyridine-4-carboxamide
CID 82738139
3-amino-5-fluoro-4-methyl-N-propylbenzamide
CID 60861174
N-[(3-ethyl-2-pyridinyl)methyl]-5-hydroxypyridine-3-carboxamide
CID 82739232
N-[(3-ethyl-2-pyridinyl)methyl]-6-(methylamino)pyridine-3-carboxamide
CID 82744064

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(3-ethyl-2-pyridinyl)methyl]-5-fluoro-4-methylbenzamide?
The IUPAC name of 3-amino-N-[(3-ethyl-2-pyridinyl)methyl]-5-fluoro-4-methylbenzamide (CID 82733555) is 3-amino-N-[(3-ethyl-2-pyridinyl)methyl]-5-fluoro-4-methylbenzamide.
What is the SMILES notation for 3-amino-N-[(3-ethyl-2-pyridinyl)methyl]-5-fluoro-4-methylbenzamide?
The canonical SMILES for 3-amino-N-[(3-ethyl-2-pyridinyl)methyl]-5-fluoro-4-methylbenzamide is CCc1cccnc1CNC(=O)c1cc(N)c(C)c(F)c1.
What is the InChIKey of 3-amino-N-[(3-ethyl-2-pyridinyl)methyl]-5-fluoro-4-methylbenzamide?
The InChIKey is IFHBLCYFYIEPPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O/c1-3-11-5-4-6-19-15(11)9-20-16(21)12-7-13(17)10(2)14(18)8-12/h4-8H,3,9,18H2,1-2H3,(H,20,21).
What are the key properties of 3-amino-N-[(3-ethyl-2-pyridinyl)methyl]-5-fluoro-4-methylbenzamide?
3-amino-N-[(3-ethyl-2-pyridinyl)methyl]-5-fluoro-4-methylbenzamide has a molecular weight of 287.34 g/mol, XLogP of 2.60, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(3-ethyl-2-pyridinyl)methyl]-5-fluoro-4-methylbenzamide is sourced from PubChem (CID 82733555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).