6-[2-fluoro-4-[4-methyl-1-(pentylamino)pentyl]phenoxy]pyridine-3-carboxamide

C23H32FN3O2 — CID 68748468

IUPAC6-[2-fluoro-4-[4-methyl-1-(pentylamino)pentyl]phenoxy]pyridine-3-carboxamide
SMILESCCCCCNC(CCC(C)C)c1ccc(Oc2ccc(C(N)=O)cn2)c(F)c1
InChIInChI=1S/C23H32FN3O2/c1-4-5-6-13-26-20(10-7-16(2)3)17-8-11-21(19(24)14-17)29-22-12-9-18(15-27-22)23(25)28/h8-9,11-12,14-16,20,26H,4-7,10,13H2,1-3H3,(H2,25,28)
InChIKeyYVWBIVXSZNDHAT-UHFFFAOYSA-N
MW401.53 g/mol
LogP5.37
Rot. Bonds12

About 6-[2-fluoro-4-[4-methyl-1-(pentylamino)pentyl]phenoxy]pyridine-3-carboxamide

6-[2-fluoro-4-[4-methyl-1-(pentylamino)pentyl]phenoxy]pyridine-3-carboxamide (PubChem CID 68748468) has the molecular formula C23H32FN3O2 and a molecular weight of 401.53 g/mol. Its IUPAC name is 6-[2-fluoro-4-[4-methyl-1-(pentylamino)pentyl]phenoxy]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[2-fluoro-4-[4-methyl-1-(pentylamino)pentyl]phenoxy]pyridine-3-carboxamide
PubChem CID68748468
Molecular FormulaC23H32FN3O2
Molecular Weight401.53 g/mol
Exact Mass401.25
IUPAC Name6-[2-fluoro-4-[4-methyl-1-(pentylamino)pentyl]phenoxy]pyridine-3-carboxamide
SMILESCCCCCNC(CCC(C)C)c1ccc(Oc2ccc(C(N)=O)cn2)c(F)c1
InChIInChI=1S/C23H32FN3O2/c1-4-5-6-13-26-20(10-7-16(2)3)17-8-11-21(19(24)14-17)29-22-12-9-18(15-27-22)23(25)28/h8-9,11-12,14-16,20,26H,4-7,10,13H2,1-3H3,(H2,25,28)
InChIKeyYVWBIVXSZNDHAT-UHFFFAOYSA-N
XLogP5.37
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.53
LogP ≤ 55.37
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

6-[4-[1-(pentylamino)ethyl]phenoxy]pyridine-3-carboxamide
CID 68749693
6-[4-(tert-butylamino)-2-fluorophenoxy]pyridine-3-carboxamide
CID 174431002
6-[4-(2-amino-1-cyclohexyl-5-methylhexan-2-yl)-2-fluorophenoxy]pyridine-3-carboxamide
CID 174451267
6-[4-[[cyclopropylmethyl(3-methylbutyl)amino]methyl]-2-fluorophenoxy]pyridine-3-carboxamide
CID 59730099
6-[4-[(hexylamino)methyl]-2-methoxyphenoxy]pyridine-3-carboxamide;methanesulfonic acid
CID 87560034
3-methoxy-4-[[5-[(3-methylbutylamino)methyl]-2-pyridinyl]oxy]benzamide
CID 142891069
N-[(1R)-1-(4-ethoxy-3-fluorophenyl)ethyl]pentan-1-amine
CID 29064082
CID 71096910
CID 71096910
5-[2-fluoro-4-[(hexylamino)methyl]phenoxy]pyrazine-2-carboxamide
CID 59730293
methanesulfonic acid;6-[2-methoxy-4-(propylaminomethyl)phenoxy]pyridine-3-carboxamide
CID 87561327
6-butoxypyridine-3-carboxamide
CID 506622
6-[[2-(pentylamino)-2,3-dihydro-1H-inden-5-yl]oxy]pyridine-3-carboxamide
CID 66672841

Frequently Asked Questions

What is the IUPAC name of 6-[2-fluoro-4-[4-methyl-1-(pentylamino)pentyl]phenoxy]pyridine-3-carboxamide?
The IUPAC name of 6-[2-fluoro-4-[4-methyl-1-(pentylamino)pentyl]phenoxy]pyridine-3-carboxamide (CID 68748468) is 6-[2-fluoro-4-[4-methyl-1-(pentylamino)pentyl]phenoxy]pyridine-3-carboxamide.
What is the SMILES notation for 6-[2-fluoro-4-[4-methyl-1-(pentylamino)pentyl]phenoxy]pyridine-3-carboxamide?
The canonical SMILES for 6-[2-fluoro-4-[4-methyl-1-(pentylamino)pentyl]phenoxy]pyridine-3-carboxamide is CCCCCNC(CCC(C)C)c1ccc(Oc2ccc(C(N)=O)cn2)c(F)c1.
What is the InChIKey of 6-[2-fluoro-4-[4-methyl-1-(pentylamino)pentyl]phenoxy]pyridine-3-carboxamide?
The InChIKey is YVWBIVXSZNDHAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32FN3O2/c1-4-5-6-13-26-20(10-7-16(2)3)17-8-11-21(19(24)14-17)29-22-12-9-18(15-27-22)23(25)28/h8-9,11-12,14-16,20,26H,4-7,10,13H2,1-3H3,(H2,25,28).
What are the key properties of 6-[2-fluoro-4-[4-methyl-1-(pentylamino)pentyl]phenoxy]pyridine-3-carboxamide?
6-[2-fluoro-4-[4-methyl-1-(pentylamino)pentyl]phenoxy]pyridine-3-carboxamide has a molecular weight of 401.53 g/mol, XLogP of 5.37, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-fluoro-4-[4-methyl-1-(pentylamino)pentyl]phenoxy]pyridine-3-carboxamide is sourced from PubChem (CID 68748468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).