5-[[4-(4-fluorobenzoyl)piperidin-1-yl]methyl]-N-[6-(4-fluorophenoxy)-3-pyridinyl]pyridine-2-carboxamide

C30H26F2N4O3 — CID 123409843

IUPAC5-[[4-(4-fluorobenzoyl)piperidin-1-yl]methyl]-N-[6-(4-fluorophenoxy)-3-pyridinyl]pyridine-2-carboxamide
SMILESO=C(Nc1ccc(Oc2ccc(F)cc2)nc1)c1ccc(CN2CCC(C(=O)c3ccc(F)cc3)CC2)cn1
InChIInChI=1S/C30H26F2N4O3/c31-23-4-2-21(3-5-23)29(37)22-13-15-36(16-14-22)19-20-1-11-27(33-17-20)30(38)35-25-8-12-28(34-18-25)39-26-9-6-24(32)7-10-26/h1-12,17-18,22H,13-16,19H2,(H,35,38)
InChIKeyZPHORXWFBCVGBB-UHFFFAOYSA-N
MW528.56 g/mol
LogP5.89
Rot. Bonds8

About 5-[[4-(4-fluorobenzoyl)piperidin-1-yl]methyl]-N-[6-(4-fluorophenoxy)-3-pyridinyl]pyridine-2-carboxamide

5-[[4-(4-fluorobenzoyl)piperidin-1-yl]methyl]-N-[6-(4-fluorophenoxy)-3-pyridinyl]pyridine-2-carboxamide (PubChem CID 123409843) has the molecular formula C30H26F2N4O3 and a molecular weight of 528.56 g/mol. Its IUPAC name is 5-[[4-(4-fluorobenzoyl)piperidin-1-yl]methyl]-N-[6-(4-fluorophenoxy)-3-pyridinyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-[[4-(4-fluorobenzoyl)piperidin-1-yl]methyl]-N-[6-(4-fluorophenoxy)-3-pyridinyl]pyridine-2-carboxamide
PubChem CID123409843
Molecular FormulaC30H26F2N4O3
Molecular Weight528.56 g/mol
Exact Mass528.20
IUPAC Name5-[[4-(4-fluorobenzoyl)piperidin-1-yl]methyl]-N-[6-(4-fluorophenoxy)-3-pyridinyl]pyridine-2-carboxamide
SMILESO=C(Nc1ccc(Oc2ccc(F)cc2)nc1)c1ccc(CN2CCC(C(=O)c3ccc(F)cc3)CC2)cn1
InChIInChI=1S/C30H26F2N4O3/c31-23-4-2-21(3-5-23)29(37)22-13-15-36(16-14-22)19-20-1-11-27(33-17-20)30(38)35-25-8-12-28(34-18-25)39-26-9-6-24(32)7-10-26/h1-12,17-18,22H,13-16,19H2,(H,35,38)
InChIKeyZPHORXWFBCVGBB-UHFFFAOYSA-N
XLogP5.89
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.56
LogP ≤ 55.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-[[4-(4-fluorobenzoyl)piperidin-1-yl]methyl]-N-[6-(4-fluorophenoxy)-3-pyridinyl]pyridine-2-carboxamide with MolForge

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Related Compounds

[4-[1-[6-[[6-(4-fluorophenoxy)-3-pyridinyl]carbamoyl]pyridine-3-carbonyl]piperidine-4-carbonyl]phenyl]methanesulfinic acid
CID 174696706
N-[6-(4-fluorophenoxy)-3-pyridinyl]-6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]pyridine-3-carboxamide
CID 66710529
N-[6-(4-fluorophenoxy)-3-pyridinyl]-5-[4-(4-methylsulfonylbenzoyl)piperidine-1-carbonyl]pyridine-2-carboxamide
CID 56651341
[1-[[4-[(5-chloro-2-pyridinyl)oxy]phenyl]methyl]piperidin-4-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 171984960
6-[4-(2,4-difluorobenzoyl)piperidine-1-carbonyl]-N-[6-(4-fluorophenoxy)-3-pyridinyl]pyridine-3-carboxamide
CID 66710581
N-[6-(4-fluorophenoxy)-3-pyridinyl]cyclopropanecarboxamide
CID 117059029
5-[4-fluoro-4-(4-fluorobenzoyl)piperidine-1-carbonyl]-N-[6-(4-fluorophenoxy)-3-pyridinyl]pyridine-2-carboxamide
CID 58073146
N-(2,4-difluorophenyl)-4-[[1-[[6-[4-(methanesulfonamido)phenoxy]-3-pyridinyl]methyl]piperidin-4-yl]amino]benzamide
CID 142688706
[4-[1-[6-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]carbamoyl]pyridine-3-carbonyl]piperidine-4-carbonyl]phenyl]methanesulfinic acid
CID 175280544
1-[(4-fluorophenyl)methyl]-N-(4-phenoxyphenyl)piperidine-4-carboxamide
CID 45014769
N-[6-(4-fluorophenoxy)-3-pyridinyl]-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide
CID 55743828
3-(4-fluorophenyl)-1-[1-[[6-[4-(methylsulfonylmethyl)phenoxy]-3-pyridinyl]methyl]piperidin-4-yl]-1-phenylurea
CID 58320560

Frequently Asked Questions

What is the IUPAC name of 5-[[4-(4-fluorobenzoyl)piperidin-1-yl]methyl]-N-[6-(4-fluorophenoxy)-3-pyridinyl]pyridine-2-carboxamide?
The IUPAC name of 5-[[4-(4-fluorobenzoyl)piperidin-1-yl]methyl]-N-[6-(4-fluorophenoxy)-3-pyridinyl]pyridine-2-carboxamide (CID 123409843) is 5-[[4-(4-fluorobenzoyl)piperidin-1-yl]methyl]-N-[6-(4-fluorophenoxy)-3-pyridinyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-[[4-(4-fluorobenzoyl)piperidin-1-yl]methyl]-N-[6-(4-fluorophenoxy)-3-pyridinyl]pyridine-2-carboxamide?
The canonical SMILES for 5-[[4-(4-fluorobenzoyl)piperidin-1-yl]methyl]-N-[6-(4-fluorophenoxy)-3-pyridinyl]pyridine-2-carboxamide is O=C(Nc1ccc(Oc2ccc(F)cc2)nc1)c1ccc(CN2CCC(C(=O)c3ccc(F)cc3)CC2)cn1.
What is the InChIKey of 5-[[4-(4-fluorobenzoyl)piperidin-1-yl]methyl]-N-[6-(4-fluorophenoxy)-3-pyridinyl]pyridine-2-carboxamide?
The InChIKey is ZPHORXWFBCVGBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26F2N4O3/c31-23-4-2-21(3-5-23)29(37)22-13-15-36(16-14-22)19-20-1-11-27(33-17-20)30(38)35-25-8-12-28(34-18-25)39-26-9-6-24(32)7-10-26/h1-12,17-18,22H,13-16,19H2,(H,35,38).
What are the key properties of 5-[[4-(4-fluorobenzoyl)piperidin-1-yl]methyl]-N-[6-(4-fluorophenoxy)-3-pyridinyl]pyridine-2-carboxamide?
5-[[4-(4-fluorobenzoyl)piperidin-1-yl]methyl]-N-[6-(4-fluorophenoxy)-3-pyridinyl]pyridine-2-carboxamide has a molecular weight of 528.56 g/mol, XLogP of 5.89, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(4-fluorobenzoyl)piperidin-1-yl]methyl]-N-[6-(4-fluorophenoxy)-3-pyridinyl]pyridine-2-carboxamide is sourced from PubChem (CID 123409843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).