6-[4-[(3-cyclohexa-1,5-dien-1-ylpyrrolidin-1-yl)methyl]-2-fluorophenoxy]pyridine-3-carboxamide

C23H24FN3O2 — CID 163472530

IUPAC6-[4-[(3-cyclohexa-1,5-dien-1-ylpyrrolidin-1-yl)methyl]-2-fluorophenoxy]pyridine-3-carboxamide
SMILESNC(=O)c1ccc(Oc2ccc(CN3CCC(C4=CCCC=C4)C3)cc2F)nc1
InChIInChI=1S/C23H24FN3O2/c24-20-12-16(14-27-11-10-19(15-27)17-4-2-1-3-5-17)6-8-21(20)29-22-9-7-18(13-26-22)23(25)28/h2,4-9,12-13,19H,1,3,10-11,14-15H2,(H2,25,28)
InChIKeyBXRVJXSQRGKHMB-UHFFFAOYSA-N
MW393.46 g/mol
LogP4.21
Rot. Bonds6

About 6-[4-[(3-cyclohexa-1,5-dien-1-ylpyrrolidin-1-yl)methyl]-2-fluorophenoxy]pyridine-3-carboxamide

6-[4-[(3-cyclohexa-1,5-dien-1-ylpyrrolidin-1-yl)methyl]-2-fluorophenoxy]pyridine-3-carboxamide (PubChem CID 163472530) has the molecular formula C23H24FN3O2 and a molecular weight of 393.46 g/mol. Its IUPAC name is 6-[4-[(3-cyclohexa-1,5-dien-1-ylpyrrolidin-1-yl)methyl]-2-fluorophenoxy]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[4-[(3-cyclohexa-1,5-dien-1-ylpyrrolidin-1-yl)methyl]-2-fluorophenoxy]pyridine-3-carboxamide
PubChem CID163472530
Molecular FormulaC23H24FN3O2
Molecular Weight393.46 g/mol
Exact Mass393.19
IUPAC Name6-[4-[(3-cyclohexa-1,5-dien-1-ylpyrrolidin-1-yl)methyl]-2-fluorophenoxy]pyridine-3-carboxamide
SMILESNC(=O)c1ccc(Oc2ccc(CN3CCC(C4=CCCC=C4)C3)cc2F)nc1
InChIInChI=1S/C23H24FN3O2/c24-20-12-16(14-27-11-10-19(15-27)17-4-2-1-3-5-17)6-8-21(20)29-22-9-7-18(13-26-22)23(25)28/h2,4-9,12-13,19H,1,3,10-11,14-15H2,(H2,25,28)
InChIKeyBXRVJXSQRGKHMB-UHFFFAOYSA-N
XLogP4.21
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.46
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-[4-[(3-cyclohexa-1,5-dien-1-ylpyrrolidin-1-yl)methyl]-2-fluorophenoxy]pyridine-3-carboxamide with MolForge

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Related Compounds

6-[4-[[3-(2-fluorophenyl)piperidin-1-yl]methyl]phenoxy]pyridine-3-carboxamide;hydrochloride
CID 68745791
6-[4-[[cyclopropylmethyl(3-methylbutyl)amino]methyl]-2-fluorophenoxy]pyridine-3-carboxamide
CID 59730099
6-[4-[(3-phenylazepan-1-yl)methyl]phenoxy]pyridine-3-carboxamide
CID 59730169
6-[4-[[[(3R)-1-benzylpyrrolidin-3-yl]amino]methyl]phenoxy]pyridine-3-carboxamide
CID 59730242
6-[4-[[(3R)-1-benzylpyrrolidin-3-yl]iodanuidylmethyl]phenoxy]pyridine-3-carboxamide
CID 147824690
6-[4-(2-aminoethyl)-2-methylphenoxy]pyridine-3-carboxamide
CID 59730260
6-[4-(tert-butylamino)-2-fluorophenoxy]pyridine-3-carboxamide
CID 174431002
3-fluoro-4-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]oxybenzamide
CID 143718334
6-[4-(2-amino-1-cyclohexyl-5-methylhexan-2-yl)-2-fluorophenoxy]pyridine-3-carboxamide
CID 174451267
6-[4-[(3-fluoroazetidin-1-yl)methyl]naphthalen-1-yl]oxypyridine-3-carboxamide;6-[4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]naphthalen-1-yl]oxypyridine-3-carboxamide
CID 158474137
6-cyclohexa-1,5-dien-1-yloxypyridine-3-carboxylic acid
CID 142287385
(3S)-1-[(4-ethoxy-3-fluorophenyl)methyl]pyrrolidin-3-amine
CID 120836290

Frequently Asked Questions

What is the IUPAC name of 6-[4-[(3-cyclohexa-1,5-dien-1-ylpyrrolidin-1-yl)methyl]-2-fluorophenoxy]pyridine-3-carboxamide?
The IUPAC name of 6-[4-[(3-cyclohexa-1,5-dien-1-ylpyrrolidin-1-yl)methyl]-2-fluorophenoxy]pyridine-3-carboxamide (CID 163472530) is 6-[4-[(3-cyclohexa-1,5-dien-1-ylpyrrolidin-1-yl)methyl]-2-fluorophenoxy]pyridine-3-carboxamide.
What is the SMILES notation for 6-[4-[(3-cyclohexa-1,5-dien-1-ylpyrrolidin-1-yl)methyl]-2-fluorophenoxy]pyridine-3-carboxamide?
The canonical SMILES for 6-[4-[(3-cyclohexa-1,5-dien-1-ylpyrrolidin-1-yl)methyl]-2-fluorophenoxy]pyridine-3-carboxamide is NC(=O)c1ccc(Oc2ccc(CN3CCC(C4=CCCC=C4)C3)cc2F)nc1.
What is the InChIKey of 6-[4-[(3-cyclohexa-1,5-dien-1-ylpyrrolidin-1-yl)methyl]-2-fluorophenoxy]pyridine-3-carboxamide?
The InChIKey is BXRVJXSQRGKHMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN3O2/c24-20-12-16(14-27-11-10-19(15-27)17-4-2-1-3-5-17)6-8-21(20)29-22-9-7-18(13-26-22)23(25)28/h2,4-9,12-13,19H,1,3,10-11,14-15H2,(H2,25,28).
What are the key properties of 6-[4-[(3-cyclohexa-1,5-dien-1-ylpyrrolidin-1-yl)methyl]-2-fluorophenoxy]pyridine-3-carboxamide?
6-[4-[(3-cyclohexa-1,5-dien-1-ylpyrrolidin-1-yl)methyl]-2-fluorophenoxy]pyridine-3-carboxamide has a molecular weight of 393.46 g/mol, XLogP of 4.21, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[(3-cyclohexa-1,5-dien-1-ylpyrrolidin-1-yl)methyl]-2-fluorophenoxy]pyridine-3-carboxamide is sourced from PubChem (CID 163472530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).