5-[2-fluoro-4-[(4-methylpentylamino)methyl]phenoxy]pyridine-2-carboxamide

C19H24FN3O2 — CID 59730177

IUPAC5-[2-fluoro-4-[(4-methylpentylamino)methyl]phenoxy]pyridine-2-carboxamide
SMILESCC(C)CCCNCc1ccc(Oc2ccc(C(N)=O)nc2)c(F)c1
InChIInChI=1S/C19H24FN3O2/c1-13(2)4-3-9-22-11-14-5-8-18(16(20)10-14)25-15-6-7-17(19(21)24)23-12-15/h5-8,10,12-13,22H,3-4,9,11H2,1-2H3,(H2,21,24)
InChIKeyLNJLBVFNRJLICL-UHFFFAOYSA-N
MW345.42 g/mol
LogP3.64
Rot. Bonds9

About 5-[2-fluoro-4-[(4-methylpentylamino)methyl]phenoxy]pyridine-2-carboxamide

5-[2-fluoro-4-[(4-methylpentylamino)methyl]phenoxy]pyridine-2-carboxamide (PubChem CID 59730177) has the molecular formula C19H24FN3O2 and a molecular weight of 345.42 g/mol. Its IUPAC name is 5-[2-fluoro-4-[(4-methylpentylamino)methyl]phenoxy]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-[2-fluoro-4-[(4-methylpentylamino)methyl]phenoxy]pyridine-2-carboxamide
PubChem CID59730177
Molecular FormulaC19H24FN3O2
Molecular Weight345.42 g/mol
Exact Mass345.19
IUPAC Name5-[2-fluoro-4-[(4-methylpentylamino)methyl]phenoxy]pyridine-2-carboxamide
SMILESCC(C)CCCNCc1ccc(Oc2ccc(C(N)=O)nc2)c(F)c1
InChIInChI=1S/C19H24FN3O2/c1-13(2)4-3-9-22-11-14-5-8-18(16(20)10-14)25-15-6-7-17(19(21)24)23-12-15/h5-8,10,12-13,22H,3-4,9,11H2,1-2H3,(H2,21,24)
InChIKeyLNJLBVFNRJLICL-UHFFFAOYSA-N
XLogP3.64
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-[2-fluoro-4-[[2-(3-methylphenyl)ethylamino]methyl]phenoxy]pyridine-2-carboxamide
CID 59730229
5-[2-methyl-4-[(octylamino)methyl]phenoxy]pyridine-2-carboxamide
CID 142876363
N-[[4-[[6-(1-aminoethenyl)-3-pyridinyl]oxy]-3-fluorophenyl]methyl]-3,3-dimethylbutan-1-amine
CID 89054552
5-[2-fluoro-4-[(hexylamino)methyl]phenoxy]pyrazine-2-carboxamide
CID 59730293
3-fluoro-N-methyl-4-[4-[(3-methylbutylamino)methyl]phenoxy]benzamide
CID 70876564
[[5-[2-methyl-4-[(3-methylbutylamino)methyl]phenoxy]pyridine-2-carbonyl]amino]methanesulfonic acid
CID 90730855
4-chloro-N-[(3-fluoro-4-methoxyphenyl)methyl]pentan-1-amine
CID 106121926
3-bromo-4-[4-[(3-methylbutylamino)methyl]phenoxy]benzamide
CID 59730206
4-[2-chloro-4-[(3-methylbutylamino)methyl]phenoxy]benzamide
CID 59730026
5-[2-fluoro-4-[(2-thiophen-2-ylethylamino)methyl]phenoxy]pyrazine-2-carboxamide
CID 59730219
2-fluoro-4-[(5-methylhexylamino)methyl]aniline
CID 113287600
3-methoxy-4-[[5-[(3-methylbutylamino)methyl]-2-pyridinyl]oxy]benzamide
CID 142891069

Frequently Asked Questions

What is the IUPAC name of 5-[2-fluoro-4-[(4-methylpentylamino)methyl]phenoxy]pyridine-2-carboxamide?
The IUPAC name of 5-[2-fluoro-4-[(4-methylpentylamino)methyl]phenoxy]pyridine-2-carboxamide (CID 59730177) is 5-[2-fluoro-4-[(4-methylpentylamino)methyl]phenoxy]pyridine-2-carboxamide.
What is the SMILES notation for 5-[2-fluoro-4-[(4-methylpentylamino)methyl]phenoxy]pyridine-2-carboxamide?
The canonical SMILES for 5-[2-fluoro-4-[(4-methylpentylamino)methyl]phenoxy]pyridine-2-carboxamide is CC(C)CCCNCc1ccc(Oc2ccc(C(N)=O)nc2)c(F)c1.
What is the InChIKey of 5-[2-fluoro-4-[(4-methylpentylamino)methyl]phenoxy]pyridine-2-carboxamide?
The InChIKey is LNJLBVFNRJLICL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN3O2/c1-13(2)4-3-9-22-11-14-5-8-18(16(20)10-14)25-15-6-7-17(19(21)24)23-12-15/h5-8,10,12-13,22H,3-4,9,11H2,1-2H3,(H2,21,24).
What are the key properties of 5-[2-fluoro-4-[(4-methylpentylamino)methyl]phenoxy]pyridine-2-carboxamide?
5-[2-fluoro-4-[(4-methylpentylamino)methyl]phenoxy]pyridine-2-carboxamide has a molecular weight of 345.42 g/mol, XLogP of 3.64, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-fluoro-4-[(4-methylpentylamino)methyl]phenoxy]pyridine-2-carboxamide is sourced from PubChem (CID 59730177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).