6-[4-(4-cyanophenoxy)piperidine-1-carbonyl]-N-[6-(4-fluorophenoxy)-3-pyridinyl]pyridine-3-carboxamide

C30H24FN5O4 — CID 66710283

IUPAC6-[4-(4-cyanophenoxy)piperidine-1-carbonyl]-N-[6-(4-fluorophenoxy)-3-pyridinyl]pyridine-3-carboxamide
SMILESN#Cc1ccc(OC2CCN(C(=O)c3ccc(C(=O)Nc4ccc(Oc5ccc(F)cc5)nc4)cn3)CC2)cc1
InChIInChI=1S/C30H24FN5O4/c31-22-4-9-25(10-5-22)40-28-12-6-23(19-34-28)35-29(37)21-3-11-27(33-18-21)30(38)36-15-13-26(14-16-36)39-24-7-1-20(17-32)2-8-24/h1-12,18-19,26H,13-16H2,(H,35,37)
InChIKeyXSUNUTFPDUBUTM-UHFFFAOYSA-N
MW537.55 g/mol
LogP5.22
Rot. Bonds7

About 6-[4-(4-cyanophenoxy)piperidine-1-carbonyl]-N-[6-(4-fluorophenoxy)-3-pyridinyl]pyridine-3-carboxamide

6-[4-(4-cyanophenoxy)piperidine-1-carbonyl]-N-[6-(4-fluorophenoxy)-3-pyridinyl]pyridine-3-carboxamide (PubChem CID 66710283) has the molecular formula C30H24FN5O4 and a molecular weight of 537.55 g/mol. Its IUPAC name is 6-[4-(4-cyanophenoxy)piperidine-1-carbonyl]-N-[6-(4-fluorophenoxy)-3-pyridinyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[4-(4-cyanophenoxy)piperidine-1-carbonyl]-N-[6-(4-fluorophenoxy)-3-pyridinyl]pyridine-3-carboxamide
PubChem CID66710283
Molecular FormulaC30H24FN5O4
Molecular Weight537.55 g/mol
Exact Mass537.18
IUPAC Name6-[4-(4-cyanophenoxy)piperidine-1-carbonyl]-N-[6-(4-fluorophenoxy)-3-pyridinyl]pyridine-3-carboxamide
SMILESN#Cc1ccc(OC2CCN(C(=O)c3ccc(C(=O)Nc4ccc(Oc5ccc(F)cc5)nc4)cn3)CC2)cc1
InChIInChI=1S/C30H24FN5O4/c31-22-4-9-25(10-5-22)40-28-12-6-23(19-34-28)35-29(37)21-3-11-27(33-18-21)30(38)36-15-13-26(14-16-36)39-24-7-1-20(17-32)2-8-24/h1-12,18-19,26H,13-16H2,(H,35,37)
InChIKeyXSUNUTFPDUBUTM-UHFFFAOYSA-N
XLogP5.22
TPSA117.44 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.55
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-[4-(4-cyanophenoxy)piperidine-1-carbonyl]-N-[6-(4-fluorophenoxy)-3-pyridinyl]pyridine-3-carboxamide with MolForge

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Related Compounds

N-[6-(4-fluorophenoxy)-3-pyridinyl]-6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]pyridine-3-carboxamide
CID 66710529
N-[6-(4-acetylphenoxy)-3-pyridinyl]-6-[4-(4-cyclopropylsulfonylphenoxy)piperidine-1-carbonyl]pyridine-3-carboxamide
CID 66710579
6-[4-(2,4-difluorobenzoyl)piperidine-1-carbonyl]-N-[6-(4-fluorophenoxy)-3-pyridinyl]pyridine-3-carboxamide
CID 66710581
N-[6-(4-cyanophenoxy)-2-methyl-3-pyridinyl]-6-[4-(2,4-difluorobenzoyl)piperidine-1-carbonyl]pyridine-3-carboxamide
CID 66710669
N-[6-(4-fluorophenoxy)-3-pyridinyl]-5-[4-(4-methylsulfonylbenzoyl)piperidine-1-carbonyl]pyridine-2-carboxamide
CID 56651341
[4-[1-[6-[[6-(4-fluorophenoxy)-3-pyridinyl]carbamoyl]pyridine-3-carbonyl]piperidine-4-carbonyl]phenyl]methanesulfinic acid
CID 174696706
5-[4-fluoro-4-(4-fluorobenzoyl)piperidine-1-carbonyl]-N-[6-(4-fluorophenoxy)-3-pyridinyl]pyridine-2-carboxamide
CID 58073146
6-[4-(4-cyanophenoxy)piperidine-1-carbonyl]-N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]pyridine-3-carboxamide
CID 66710665
N-[4-(4-cyanophenoxy)cyclohexyl]-5-[4-(4-methoxyphenoxy)piperidine-1-carbonyl]pyridine-2-carboxamide
CID 66710218
6-[4-(4-cyanophenoxy)piperidine-1-carbonyl]-N-[1-(4-methylsulfonylphenyl)piperidin-4-yl]pyridine-3-carboxamide
CID 66710859
5-[[4-(4-fluorobenzoyl)piperidin-1-yl]methyl]-N-[6-(4-fluorophenoxy)-3-pyridinyl]pyridine-2-carboxamide
CID 123409843
4-[[5-[2-[6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]-3-pyridinyl]-2-oxoethyl]-2-pyridinyl]oxy]benzonitrile
CID 58073183

Frequently Asked Questions

What is the IUPAC name of 6-[4-(4-cyanophenoxy)piperidine-1-carbonyl]-N-[6-(4-fluorophenoxy)-3-pyridinyl]pyridine-3-carboxamide?
The IUPAC name of 6-[4-(4-cyanophenoxy)piperidine-1-carbonyl]-N-[6-(4-fluorophenoxy)-3-pyridinyl]pyridine-3-carboxamide (CID 66710283) is 6-[4-(4-cyanophenoxy)piperidine-1-carbonyl]-N-[6-(4-fluorophenoxy)-3-pyridinyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-[4-(4-cyanophenoxy)piperidine-1-carbonyl]-N-[6-(4-fluorophenoxy)-3-pyridinyl]pyridine-3-carboxamide?
The canonical SMILES for 6-[4-(4-cyanophenoxy)piperidine-1-carbonyl]-N-[6-(4-fluorophenoxy)-3-pyridinyl]pyridine-3-carboxamide is N#Cc1ccc(OC2CCN(C(=O)c3ccc(C(=O)Nc4ccc(Oc5ccc(F)cc5)nc4)cn3)CC2)cc1.
What is the InChIKey of 6-[4-(4-cyanophenoxy)piperidine-1-carbonyl]-N-[6-(4-fluorophenoxy)-3-pyridinyl]pyridine-3-carboxamide?
The InChIKey is XSUNUTFPDUBUTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24FN5O4/c31-22-4-9-25(10-5-22)40-28-12-6-23(19-34-28)35-29(37)21-3-11-27(33-18-21)30(38)36-15-13-26(14-16-36)39-24-7-1-20(17-32)2-8-24/h1-12,18-19,26H,13-16H2,(H,35,37).
What are the key properties of 6-[4-(4-cyanophenoxy)piperidine-1-carbonyl]-N-[6-(4-fluorophenoxy)-3-pyridinyl]pyridine-3-carboxamide?
6-[4-(4-cyanophenoxy)piperidine-1-carbonyl]-N-[6-(4-fluorophenoxy)-3-pyridinyl]pyridine-3-carboxamide has a molecular weight of 537.55 g/mol, XLogP of 5.22, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(4-cyanophenoxy)piperidine-1-carbonyl]-N-[6-(4-fluorophenoxy)-3-pyridinyl]pyridine-3-carboxamide is sourced from PubChem (CID 66710283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).