N-(2-cyanophenyl)-1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidine-3-carboxamide

C23H20FN5O — CID 121071274

IUPACN-(2-cyanophenyl)-1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidine-3-carboxamide
SMILESN#Cc1ccccc1NC(=O)C1CCCN(c2ccc(-c3ccc(F)cc3)nn2)C1
InChIInChI=1S/C23H20FN5O/c24-19-9-7-16(8-10-19)21-11-12-22(28-27-21)29-13-3-5-18(15-29)23(30)26-20-6-2-1-4-17(20)14-25/h1-2,4,6-12,18H,3,5,13,15H2,(H,26,30)
InChIKeyJSTQVVCDKXTLPB-UHFFFAOYSA-N
MW401.45 g/mol
LogP4.01
Rot. Bonds4

About N-(2-cyanophenyl)-1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidine-3-carboxamide

N-(2-cyanophenyl)-1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidine-3-carboxamide (PubChem CID 121071274) has the molecular formula C23H20FN5O and a molecular weight of 401.45 g/mol. Its IUPAC name is N-(2-cyanophenyl)-1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidine-3-carboxamide
PubChem CID121071274
Molecular FormulaC23H20FN5O
Molecular Weight401.45 g/mol
Exact Mass401.17
IUPAC NameN-(2-cyanophenyl)-1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidine-3-carboxamide
SMILESN#Cc1ccccc1NC(=O)C1CCCN(c2ccc(-c3ccc(F)cc3)nn2)C1
InChIInChI=1S/C23H20FN5O/c24-19-9-7-16(8-10-19)21-11-12-22(28-27-21)29-13-3-5-18(15-29)23(30)26-20-6-2-1-4-17(20)14-25/h1-2,4,6-12,18H,3,5,13,15H2,(H,26,30)
InChIKeyJSTQVVCDKXTLPB-UHFFFAOYSA-N
XLogP4.01
TPSA81.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.45
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(2-cyanophenyl)-1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidine-3-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

N-(1H-benzimidazol-2-yl)-1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidine-3-carboxamide
CID 121071277
(3R)-1-[6-(4-fluorophenyl)pyridazin-3-yl]-N-pyridin-4-ylpiperidine-3-carboxamide
CID 30353337
1-[6-(4-fluorophenyl)pyridazin-3-yl]-N-(2-methoxy-4-nitrophenyl)piperidine-3-carboxamide
CID 121071300
(3R)-1-[6-(4-fluorophenyl)pyridazin-3-yl]-N-(3-methylphenyl)piperidine-3-carboxamide
CID 30353811
N-(2,4-difluorophenyl)-1-(6-pyridin-4-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 121070816
N-(2-cyano-4-nitrophenyl)-1-(6-pyridin-3-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 121071084
1-[6-(4-chlorophenyl)pyridazin-3-yl]-N-naphthalen-1-ylpiperidine-3-carboxamide
CID 121070412
1-[6-(4-methylphenyl)pyridazin-3-yl]-N-phenylpiperidine-3-carboxamide
CID 53025060
1-[6-(4-fluorophenyl)pyridazin-3-yl]-N-(2-piperidin-1-ylethyl)piperidine-3-carboxamide
CID 53004866
N-(2,4-difluorophenyl)-1-(6-pyridin-3-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 121070992
N-(4-bromo-3-methylphenyl)-1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidine-3-carboxamide
CID 121071302
(3R)-N-(4-nitrophenyl)-1-(6-phenylpyridazin-3-yl)piperidine-3-carboxamide
CID 30866078

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidine-3-carboxamide?
The IUPAC name of N-(2-cyanophenyl)-1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidine-3-carboxamide (CID 121071274) is N-(2-cyanophenyl)-1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidine-3-carboxamide.
What is the SMILES notation for N-(2-cyanophenyl)-1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidine-3-carboxamide?
The canonical SMILES for N-(2-cyanophenyl)-1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidine-3-carboxamide is N#Cc1ccccc1NC(=O)C1CCCN(c2ccc(-c3ccc(F)cc3)nn2)C1.
What is the InChIKey of N-(2-cyanophenyl)-1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidine-3-carboxamide?
The InChIKey is JSTQVVCDKXTLPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN5O/c24-19-9-7-16(8-10-19)21-11-12-22(28-27-21)29-13-3-5-18(15-29)23(30)26-20-6-2-1-4-17(20)14-25/h1-2,4,6-12,18H,3,5,13,15H2,(H,26,30).
What are the key properties of N-(2-cyanophenyl)-1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidine-3-carboxamide?
N-(2-cyanophenyl)-1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidine-3-carboxamide has a molecular weight of 401.45 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanophenyl)-1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidine-3-carboxamide is sourced from PubChem (CID 121071274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).