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

C31H32N6O2 — CID 66710718

IUPAC5-[4-(4-cyanophenoxy)piperidin-1-yl]-N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]pyridine-2-carboxamide
SMILESN#Cc1ccc(CN2CCC(NC(=O)c3ccc(N4CCC(Oc5ccc(C#N)cc5)CC4)cn3)CC2)cc1
InChIInChI=1S/C31H32N6O2/c32-19-23-1-3-25(4-2-23)22-36-15-11-26(12-16-36)35-31(38)30-10-7-27(21-34-30)37-17-13-29(14-18-37)39-28-8-5-24(20-33)6-9-28/h1-10,21,26,29H,11-18,22H2,(H,35,38)
InChIKeyRMRAPVQTYURKPZ-UHFFFAOYSA-N
MW520.64 g/mol
LogP4.27
Rot. Bonds7

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

5-[4-(4-cyanophenoxy)piperidin-1-yl]-N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]pyridine-2-carboxamide (PubChem CID 66710718) has the molecular formula C31H32N6O2 and a molecular weight of 520.64 g/mol. Its IUPAC name is 5-[4-(4-cyanophenoxy)piperidin-1-yl]-N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-[4-(4-cyanophenoxy)piperidin-1-yl]-N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]pyridine-2-carboxamide
PubChem CID66710718
Molecular FormulaC31H32N6O2
Molecular Weight520.64 g/mol
Exact Mass520.26
IUPAC Name5-[4-(4-cyanophenoxy)piperidin-1-yl]-N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]pyridine-2-carboxamide
SMILESN#Cc1ccc(CN2CCC(NC(=O)c3ccc(N4CCC(Oc5ccc(C#N)cc5)CC4)cn3)CC2)cc1
InChIInChI=1S/C31H32N6O2/c32-19-23-1-3-25(4-2-23)22-36-15-11-26(12-16-36)35-31(38)30-10-7-27(21-34-30)37-17-13-29(14-18-37)39-28-8-5-24(20-33)6-9-28/h1-10,21,26,29H,11-18,22H2,(H,35,38)
InChIKeyRMRAPVQTYURKPZ-UHFFFAOYSA-N
XLogP4.27
TPSA105.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500520.64
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-cyanophenoxy)piperidin-1-yl]-N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]pyridine-2-carboxamide?
The IUPAC name of 5-[4-(4-cyanophenoxy)piperidin-1-yl]-N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]pyridine-2-carboxamide (CID 66710718) is 5-[4-(4-cyanophenoxy)piperidin-1-yl]-N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]pyridine-2-carboxamide.
What is the SMILES notation for 5-[4-(4-cyanophenoxy)piperidin-1-yl]-N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]pyridine-2-carboxamide?
The canonical SMILES for 5-[4-(4-cyanophenoxy)piperidin-1-yl]-N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]pyridine-2-carboxamide is N#Cc1ccc(CN2CCC(NC(=O)c3ccc(N4CCC(Oc5ccc(C#N)cc5)CC4)cn3)CC2)cc1.
What is the InChIKey of 5-[4-(4-cyanophenoxy)piperidin-1-yl]-N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]pyridine-2-carboxamide?
The InChIKey is RMRAPVQTYURKPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32N6O2/c32-19-23-1-3-25(4-2-23)22-36-15-11-26(12-16-36)35-31(38)30-10-7-27(21-34-30)37-17-13-29(14-18-37)39-28-8-5-24(20-33)6-9-28/h1-10,21,26,29H,11-18,22H2,(H,35,38).
What are the key properties of 5-[4-(4-cyanophenoxy)piperidin-1-yl]-N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]pyridine-2-carboxamide?
5-[4-(4-cyanophenoxy)piperidin-1-yl]-N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]pyridine-2-carboxamide has a molecular weight of 520.64 g/mol, XLogP of 4.27, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4-cyanophenoxy)piperidin-1-yl]-N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]pyridine-2-carboxamide is sourced from PubChem (CID 66710718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).