N-(2-fluorophenyl)-2-[4-[(4-fluorophenyl)methylcarbamoyl]piperidin-1-yl]pyridine-4-carboxamide

C25H24F2N4O2 — CID 46360827

IUPACN-(2-fluorophenyl)-2-[4-[(4-fluorophenyl)methylcarbamoyl]piperidin-1-yl]pyridine-4-carboxamide
SMILESO=C(Nc1ccccc1F)c1ccnc(N2CCC(C(=O)NCc3ccc(F)cc3)CC2)c1
InChIInChI=1S/C25H24F2N4O2/c26-20-7-5-17(6-8-20)16-29-24(32)18-10-13-31(14-11-18)23-15-19(9-12-28-23)25(33)30-22-4-2-1-3-21(22)27/h1-9,12,15,18H,10-11,13-14,16H2,(H,29,32)(H,30,33)
InChIKeyOCGJSUUECHNZRU-UHFFFAOYSA-N
MW450.49 g/mol
LogP4.14
Rot. Bonds6

About N-(2-fluorophenyl)-2-[4-[(4-fluorophenyl)methylcarbamoyl]piperidin-1-yl]pyridine-4-carboxamide

N-(2-fluorophenyl)-2-[4-[(4-fluorophenyl)methylcarbamoyl]piperidin-1-yl]pyridine-4-carboxamide (PubChem CID 46360827) has the molecular formula C25H24F2N4O2 and a molecular weight of 450.49 g/mol. Its IUPAC name is N-(2-fluorophenyl)-2-[4-[(4-fluorophenyl)methylcarbamoyl]piperidin-1-yl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-2-[4-[(4-fluorophenyl)methylcarbamoyl]piperidin-1-yl]pyridine-4-carboxamide
PubChem CID46360827
Molecular FormulaC25H24F2N4O2
Molecular Weight450.49 g/mol
Exact Mass450.19
IUPAC NameN-(2-fluorophenyl)-2-[4-[(4-fluorophenyl)methylcarbamoyl]piperidin-1-yl]pyridine-4-carboxamide
SMILESO=C(Nc1ccccc1F)c1ccnc(N2CCC(C(=O)NCc3ccc(F)cc3)CC2)c1
InChIInChI=1S/C25H24F2N4O2/c26-20-7-5-17(6-8-20)16-29-24(32)18-10-13-31(14-11-18)23-15-19(9-12-28-23)25(33)30-22-4-2-1-3-21(22)27/h1-9,12,15,18H,10-11,13-14,16H2,(H,29,32)(H,30,33)
InChIKeyOCGJSUUECHNZRU-UHFFFAOYSA-N
XLogP4.14
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.49
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[(4-ethoxyphenyl)carbamoyl]piperidin-1-yl]-N-(2-fluorophenyl)pyridine-4-carboxamide
CID 46360822
N-(2-methoxyphenyl)-2-[4-[(3-methoxyphenyl)methylcarbamoyl]piperidin-1-yl]pyridine-4-carboxamide
CID 46360662
2-[4-[(4-fluorophenyl)carbamoyl]piperidin-1-yl]-N-(2-methoxyphenyl)pyridine-4-carboxamide
CID 46360654
N-(2-fluorophenyl)-2-[4-[(2-methoxy-5-methylphenyl)carbamoyl]piperidin-1-yl]pyridine-4-carboxamide
CID 46360832
N-[(4-fluorophenyl)methyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 43814859
N-[(4-chlorophenyl)methyl]-1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidine-4-carboxamide
CID 30362689
N-(2,4-difluorophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)pyridine-4-carboxamide
CID 109174623
1-(2-fluorophenyl)-3-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]urea
CID 24651164
2-[4-[(2-ethylphenyl)carbamoyl]piperidin-1-yl]-N-(2-methoxyphenyl)pyridine-4-carboxamide
CID 46360651
N-[(4-fluorophenyl)methyl]-1-(6-pyridin-4-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 30364948
(3R)-N-[(4-fluorophenyl)methyl]-1-pyrimidin-2-ylpyrrolidine-3-carboxamide
CID 95826652
N-[(4-fluorophenyl)methyl]-1-[6-(2-methylphenyl)pyridazin-3-yl]piperidine-4-carboxamide
CID 30363820

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-2-[4-[(4-fluorophenyl)methylcarbamoyl]piperidin-1-yl]pyridine-4-carboxamide?
The IUPAC name of N-(2-fluorophenyl)-2-[4-[(4-fluorophenyl)methylcarbamoyl]piperidin-1-yl]pyridine-4-carboxamide (CID 46360827) is N-(2-fluorophenyl)-2-[4-[(4-fluorophenyl)methylcarbamoyl]piperidin-1-yl]pyridine-4-carboxamide.
What is the SMILES notation for N-(2-fluorophenyl)-2-[4-[(4-fluorophenyl)methylcarbamoyl]piperidin-1-yl]pyridine-4-carboxamide?
The canonical SMILES for N-(2-fluorophenyl)-2-[4-[(4-fluorophenyl)methylcarbamoyl]piperidin-1-yl]pyridine-4-carboxamide is O=C(Nc1ccccc1F)c1ccnc(N2CCC(C(=O)NCc3ccc(F)cc3)CC2)c1.
What is the InChIKey of N-(2-fluorophenyl)-2-[4-[(4-fluorophenyl)methylcarbamoyl]piperidin-1-yl]pyridine-4-carboxamide?
The InChIKey is OCGJSUUECHNZRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24F2N4O2/c26-20-7-5-17(6-8-20)16-29-24(32)18-10-13-31(14-11-18)23-15-19(9-12-28-23)25(33)30-22-4-2-1-3-21(22)27/h1-9,12,15,18H,10-11,13-14,16H2,(H,29,32)(H,30,33).
What are the key properties of N-(2-fluorophenyl)-2-[4-[(4-fluorophenyl)methylcarbamoyl]piperidin-1-yl]pyridine-4-carboxamide?
N-(2-fluorophenyl)-2-[4-[(4-fluorophenyl)methylcarbamoyl]piperidin-1-yl]pyridine-4-carboxamide has a molecular weight of 450.49 g/mol, XLogP of 4.14, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-2-[4-[(4-fluorophenyl)methylcarbamoyl]piperidin-1-yl]pyridine-4-carboxamide is sourced from PubChem (CID 46360827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).