1-(5-cyano-2-pyridinyl)-N-[3-(furan-2-carbonylamino)phenyl]piperidine-4-carboxamide

C23H21N5O3 — CID 46509482

IUPAC1-(5-cyano-2-pyridinyl)-N-[3-(furan-2-carbonylamino)phenyl]piperidine-4-carboxamide
SMILESN#Cc1ccc(N2CCC(C(=O)Nc3cccc(NC(=O)c4ccco4)c3)CC2)nc1
InChIInChI=1S/C23H21N5O3/c24-14-16-6-7-21(25-15-16)28-10-8-17(9-11-28)22(29)26-18-3-1-4-19(13-18)27-23(30)20-5-2-12-31-20/h1-7,12-13,15,17H,8-11H2,(H,26,29)(H,27,30)
InChIKeyJEMDNZIQMBVQQK-UHFFFAOYSA-N
MW415.45 g/mol
LogP3.65
Rot. Bonds5

About 1-(5-cyano-2-pyridinyl)-N-[3-(furan-2-carbonylamino)phenyl]piperidine-4-carboxamide

1-(5-cyano-2-pyridinyl)-N-[3-(furan-2-carbonylamino)phenyl]piperidine-4-carboxamide (PubChem CID 46509482) has the molecular formula C23H21N5O3 and a molecular weight of 415.45 g/mol. Its IUPAC name is 1-(5-cyano-2-pyridinyl)-N-[3-(furan-2-carbonylamino)phenyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(5-cyano-2-pyridinyl)-N-[3-(furan-2-carbonylamino)phenyl]piperidine-4-carboxamide
PubChem CID46509482
Molecular FormulaC23H21N5O3
Molecular Weight415.45 g/mol
Exact Mass415.16
IUPAC Name1-(5-cyano-2-pyridinyl)-N-[3-(furan-2-carbonylamino)phenyl]piperidine-4-carboxamide
SMILESN#Cc1ccc(N2CCC(C(=O)Nc3cccc(NC(=O)c4ccco4)c3)CC2)nc1
InChIInChI=1S/C23H21N5O3/c24-14-16-6-7-21(25-15-16)28-10-8-17(9-11-28)22(29)26-18-3-1-4-19(13-18)27-23(30)20-5-2-12-31-20/h1-7,12-13,15,17H,8-11H2,(H,26,29)(H,27,30)
InChIKeyJEMDNZIQMBVQQK-UHFFFAOYSA-N
XLogP3.65
TPSA111.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.45
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-(5-cyano-2-pyridinyl)-N-[3-(furan-2-carbonylamino)phenyl]piperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(5-cyano-2-pyridinyl)-N-[3-(furan-2-carbonylamino)phenyl]piperidine-4-carboxamide?
The IUPAC name of 1-(5-cyano-2-pyridinyl)-N-[3-(furan-2-carbonylamino)phenyl]piperidine-4-carboxamide (CID 46509482) is 1-(5-cyano-2-pyridinyl)-N-[3-(furan-2-carbonylamino)phenyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(5-cyano-2-pyridinyl)-N-[3-(furan-2-carbonylamino)phenyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(5-cyano-2-pyridinyl)-N-[3-(furan-2-carbonylamino)phenyl]piperidine-4-carboxamide is N#Cc1ccc(N2CCC(C(=O)Nc3cccc(NC(=O)c4ccco4)c3)CC2)nc1.
What is the InChIKey of 1-(5-cyano-2-pyridinyl)-N-[3-(furan-2-carbonylamino)phenyl]piperidine-4-carboxamide?
The InChIKey is JEMDNZIQMBVQQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O3/c24-14-16-6-7-21(25-15-16)28-10-8-17(9-11-28)22(29)26-18-3-1-4-19(13-18)27-23(30)20-5-2-12-31-20/h1-7,12-13,15,17H,8-11H2,(H,26,29)(H,27,30).
What are the key properties of 1-(5-cyano-2-pyridinyl)-N-[3-(furan-2-carbonylamino)phenyl]piperidine-4-carboxamide?
1-(5-cyano-2-pyridinyl)-N-[3-(furan-2-carbonylamino)phenyl]piperidine-4-carboxamide has a molecular weight of 415.45 g/mol, XLogP of 3.65, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-cyano-2-pyridinyl)-N-[3-(furan-2-carbonylamino)phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 46509482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).