N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]pyridine-2-carboxamide

C32H34FN5O2 — CID 66710624

IUPACN-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]pyridine-2-carboxamide
SMILESN#Cc1ccc(CN2CCC(NC(=O)c3ccc(C(=O)N4CCC(Cc5ccc(F)cc5)CC4)cn3)CC2)cc1
InChIInChI=1S/C32H34FN5O2/c33-28-8-5-23(6-9-28)19-24-11-17-38(18-12-24)32(40)27-7-10-30(35-21-27)31(39)36-29-13-15-37(16-14-29)22-26-3-1-25(20-34)2-4-26/h1-10,21,24,29H,11-19,22H2,(H,36,39)
InChIKeyNDMQOBJALHHUBI-UHFFFAOYSA-N
MW539.66 g/mol
LogP4.58
Rot. Bonds7

About N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]pyridine-2-carboxamide

N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]pyridine-2-carboxamide (PubChem CID 66710624) has the molecular formula C32H34FN5O2 and a molecular weight of 539.66 g/mol. Its IUPAC name is N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]pyridine-2-carboxamide
PubChem CID66710624
Molecular FormulaC32H34FN5O2
Molecular Weight539.66 g/mol
Exact Mass539.27
IUPAC NameN-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]pyridine-2-carboxamide
SMILESN#Cc1ccc(CN2CCC(NC(=O)c3ccc(C(=O)N4CCC(Cc5ccc(F)cc5)CC4)cn3)CC2)cc1
InChIInChI=1S/C32H34FN5O2/c33-28-8-5-23(6-9-28)19-24-11-17-38(18-12-24)32(40)27-7-10-30(35-21-27)31(39)36-29-13-15-37(16-14-29)22-26-3-1-25(20-34)2-4-26/h1-10,21,24,29H,11-19,22H2,(H,36,39)
InChIKeyNDMQOBJALHHUBI-UHFFFAOYSA-N
XLogP4.58
TPSA89.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500539.66
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]pyridine-2-carboxamide?
The IUPAC name of N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]pyridine-2-carboxamide (CID 66710624) is N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]pyridine-2-carboxamide?
The canonical SMILES for N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]pyridine-2-carboxamide is N#Cc1ccc(CN2CCC(NC(=O)c3ccc(C(=O)N4CCC(Cc5ccc(F)cc5)CC4)cn3)CC2)cc1.
What is the InChIKey of N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]pyridine-2-carboxamide?
The InChIKey is NDMQOBJALHHUBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34FN5O2/c33-28-8-5-23(6-9-28)19-24-11-17-38(18-12-24)32(40)27-7-10-30(35-21-27)31(39)36-29-13-15-37(16-14-29)22-26-3-1-25(20-34)2-4-26/h1-10,21,24,29H,11-19,22H2,(H,36,39).
What are the key properties of N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]pyridine-2-carboxamide?
N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]pyridine-2-carboxamide has a molecular weight of 539.66 g/mol, XLogP of 4.58, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]pyridine-2-carboxamide is sourced from PubChem (CID 66710624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).