N-[6-(4-cyanophenoxy)-3-pyridinyl]-3-oxo-4-pyridin-3-ylpiperazine-1-carboxamide

C22H18N6O3 — CID 166217720

IUPACN-[6-(4-cyanophenoxy)-3-pyridinyl]-3-oxo-4-pyridin-3-ylpiperazine-1-carboxamide
SMILESN#Cc1ccc(Oc2ccc(NC(=O)N3CCN(c4cccnc4)C(=O)C3)cn2)cc1
InChIInChI=1S/C22H18N6O3/c23-12-16-3-6-19(7-4-16)31-20-8-5-17(13-25-20)26-22(30)27-10-11-28(21(29)15-27)18-2-1-9-24-14-18/h1-9,13-14H,10-11,15H2,(H,26,30)
InChIKeyJZUWNEIKHIZJGT-UHFFFAOYSA-N
MW414.43 g/mol
LogP3.02
Rot. Bonds4

About N-[6-(4-cyanophenoxy)-3-pyridinyl]-3-oxo-4-pyridin-3-ylpiperazine-1-carboxamide

N-[6-(4-cyanophenoxy)-3-pyridinyl]-3-oxo-4-pyridin-3-ylpiperazine-1-carboxamide (PubChem CID 166217720) has the molecular formula C22H18N6O3 and a molecular weight of 414.43 g/mol. Its IUPAC name is N-[6-(4-cyanophenoxy)-3-pyridinyl]-3-oxo-4-pyridin-3-ylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-[6-(4-cyanophenoxy)-3-pyridinyl]-3-oxo-4-pyridin-3-ylpiperazine-1-carboxamide
PubChem CID166217720
Molecular FormulaC22H18N6O3
Molecular Weight414.43 g/mol
Exact Mass414.14
IUPAC NameN-[6-(4-cyanophenoxy)-3-pyridinyl]-3-oxo-4-pyridin-3-ylpiperazine-1-carboxamide
SMILESN#Cc1ccc(Oc2ccc(NC(=O)N3CCN(c4cccnc4)C(=O)C3)cn2)cc1
InChIInChI=1S/C22H18N6O3/c23-12-16-3-6-19(7-4-16)31-20-8-5-17(13-25-20)26-22(30)27-10-11-28(21(29)15-27)18-2-1-9-24-14-18/h1-9,13-14H,10-11,15H2,(H,26,30)
InChIKeyJZUWNEIKHIZJGT-UHFFFAOYSA-N
XLogP3.02
TPSA111.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.43
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[6-(4-cyanophenoxy)-3-pyridinyl]-3-oxo-4-pyridin-3-ylpiperazine-1-carboxamide?
The IUPAC name of N-[6-(4-cyanophenoxy)-3-pyridinyl]-3-oxo-4-pyridin-3-ylpiperazine-1-carboxamide (CID 166217720) is N-[6-(4-cyanophenoxy)-3-pyridinyl]-3-oxo-4-pyridin-3-ylpiperazine-1-carboxamide.
What is the SMILES notation for N-[6-(4-cyanophenoxy)-3-pyridinyl]-3-oxo-4-pyridin-3-ylpiperazine-1-carboxamide?
The canonical SMILES for N-[6-(4-cyanophenoxy)-3-pyridinyl]-3-oxo-4-pyridin-3-ylpiperazine-1-carboxamide is N#Cc1ccc(Oc2ccc(NC(=O)N3CCN(c4cccnc4)C(=O)C3)cn2)cc1.
What is the InChIKey of N-[6-(4-cyanophenoxy)-3-pyridinyl]-3-oxo-4-pyridin-3-ylpiperazine-1-carboxamide?
The InChIKey is JZUWNEIKHIZJGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N6O3/c23-12-16-3-6-19(7-4-16)31-20-8-5-17(13-25-20)26-22(30)27-10-11-28(21(29)15-27)18-2-1-9-24-14-18/h1-9,13-14H,10-11,15H2,(H,26,30).
What are the key properties of N-[6-(4-cyanophenoxy)-3-pyridinyl]-3-oxo-4-pyridin-3-ylpiperazine-1-carboxamide?
N-[6-(4-cyanophenoxy)-3-pyridinyl]-3-oxo-4-pyridin-3-ylpiperazine-1-carboxamide has a molecular weight of 414.43 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-cyanophenoxy)-3-pyridinyl]-3-oxo-4-pyridin-3-ylpiperazine-1-carboxamide is sourced from PubChem (CID 166217720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).