N-benzyl-2-(4-cyclopentylphenoxy)-5-fluoropyridine-3-carboxamide

C24H23FN2O2 — CID 141112093

IUPACN-benzyl-2-(4-cyclopentylphenoxy)-5-fluoropyridine-3-carboxamide
SMILESO=C(NCc1ccccc1)c1cc(F)cnc1Oc1ccc(C2CCCC2)cc1
InChIInChI=1S/C24H23FN2O2/c25-20-14-22(23(28)26-15-17-6-2-1-3-7-17)24(27-16-20)29-21-12-10-19(11-13-21)18-8-4-5-9-18/h1-3,6-7,10-14,16,18H,4-5,8-9,15H2,(H,26,28)
InChIKeyJBJZUDNSHCMRIB-UHFFFAOYSA-N
MW390.46 g/mol
LogP5.60
Rot. Bonds6

About N-benzyl-2-(4-cyclopentylphenoxy)-5-fluoropyridine-3-carboxamide

N-benzyl-2-(4-cyclopentylphenoxy)-5-fluoropyridine-3-carboxamide (PubChem CID 141112093) has the molecular formula C24H23FN2O2 and a molecular weight of 390.46 g/mol. Its IUPAC name is N-benzyl-2-(4-cyclopentylphenoxy)-5-fluoropyridine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-2-(4-cyclopentylphenoxy)-5-fluoropyridine-3-carboxamide
PubChem CID141112093
Molecular FormulaC24H23FN2O2
Molecular Weight390.46 g/mol
Exact Mass390.17
IUPAC NameN-benzyl-2-(4-cyclopentylphenoxy)-5-fluoropyridine-3-carboxamide
SMILESO=C(NCc1ccccc1)c1cc(F)cnc1Oc1ccc(C2CCCC2)cc1
InChIInChI=1S/C24H23FN2O2/c25-20-14-22(23(28)26-15-17-6-2-1-3-7-17)24(27-16-20)29-21-12-10-19(11-13-21)18-8-4-5-9-18/h1-3,6-7,10-14,16,18H,4-5,8-9,15H2,(H,26,28)
InChIKeyJBJZUDNSHCMRIB-UHFFFAOYSA-N
XLogP5.60
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.46
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[[2-(4-cyclopentylphenoxy)-5-fluoropyridine-3-carbonyl]amino]methyl]benzoic acid
CID 69047562
4-[[[5-fluoro-2-(4-phenylmethoxyphenoxy)pyridine-3-carbonyl]amino]methyl]benzoic acid
CID 91108177
[4-[[[5-fluoro-2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]methyl]phenyl]methylazanium chloride
CID 159167467
4-[[[5-fluoro-2-(3-fluorophenoxy)pyridine-3-carbonyl]amino]methyl]benzoic acid
CID 69051381
4-[[[5-fluoro-2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]methyl]benzoic acid;methyl 4-[[[5-fluoro-2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]methyl]benzoate
CID 158285072
5-fluoro-2-(4-fluorophenoxy)-N-[4-[(3-hydroxyphenyl)methylcarbamoylamino]cyclohexyl]pyridine-3-carboxamide
CID 10006011
2-[[[5-fluoro-2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]methyl]-3-methylbenzoic acid
CID 141335128
4-[[[2-(3-ethynylphenoxy)-5-fluoropyridine-3-carbonyl]amino]methyl]benzoic acid
CID 87672112
5-fluoro-2-(4-fluorophenoxy)-N-methylpyridine-3-carboxamide
CID 142274034
5-fluoro-2-(4-fluorophenoxy)-N-[(4-formyl-3-methylphenyl)methyl]pyridine-3-carboxamide
CID 89207947
4-[[[5-fluoro-2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]methyl]-3-methylbenzoic acid
CID 58905325
CID 87932328
CID 87932328

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(4-cyclopentylphenoxy)-5-fluoropyridine-3-carboxamide?
The IUPAC name of N-benzyl-2-(4-cyclopentylphenoxy)-5-fluoropyridine-3-carboxamide (CID 141112093) is N-benzyl-2-(4-cyclopentylphenoxy)-5-fluoropyridine-3-carboxamide.
What is the SMILES notation for N-benzyl-2-(4-cyclopentylphenoxy)-5-fluoropyridine-3-carboxamide?
The canonical SMILES for N-benzyl-2-(4-cyclopentylphenoxy)-5-fluoropyridine-3-carboxamide is O=C(NCc1ccccc1)c1cc(F)cnc1Oc1ccc(C2CCCC2)cc1.
What is the InChIKey of N-benzyl-2-(4-cyclopentylphenoxy)-5-fluoropyridine-3-carboxamide?
The InChIKey is JBJZUDNSHCMRIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN2O2/c25-20-14-22(23(28)26-15-17-6-2-1-3-7-17)24(27-16-20)29-21-12-10-19(11-13-21)18-8-4-5-9-18/h1-3,6-7,10-14,16,18H,4-5,8-9,15H2,(H,26,28).
What are the key properties of N-benzyl-2-(4-cyclopentylphenoxy)-5-fluoropyridine-3-carboxamide?
N-benzyl-2-(4-cyclopentylphenoxy)-5-fluoropyridine-3-carboxamide has a molecular weight of 390.46 g/mol, XLogP of 5.60, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(4-cyclopentylphenoxy)-5-fluoropyridine-3-carboxamide is sourced from PubChem (CID 141112093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).