N-(2,4-difluorophenyl)-1-(6-pyridin-4-ylpyridazin-3-yl)piperidine-3-carboxamide

C21H19F2N5O — CID 121070816

IUPACN-(2,4-difluorophenyl)-1-(6-pyridin-4-ylpyridazin-3-yl)piperidine-3-carboxamide
SMILESO=C(Nc1ccc(F)cc1F)C1CCCN(c2ccc(-c3ccncc3)nn2)C1
InChIInChI=1S/C21H19F2N5O/c22-16-3-4-19(17(23)12-16)25-21(29)15-2-1-11-28(13-15)20-6-5-18(26-27-20)14-7-9-24-10-8-14/h3-10,12,15H,1-2,11,13H2,(H,25,29)
InChIKeyPWTQEAUMNSNVJO-UHFFFAOYSA-N
MW395.41 g/mol
LogP3.67
Rot. Bonds4

About N-(2,4-difluorophenyl)-1-(6-pyridin-4-ylpyridazin-3-yl)piperidine-3-carboxamide

N-(2,4-difluorophenyl)-1-(6-pyridin-4-ylpyridazin-3-yl)piperidine-3-carboxamide (PubChem CID 121070816) has the molecular formula C21H19F2N5O and a molecular weight of 395.41 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-1-(6-pyridin-4-ylpyridazin-3-yl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-1-(6-pyridin-4-ylpyridazin-3-yl)piperidine-3-carboxamide
PubChem CID121070816
Molecular FormulaC21H19F2N5O
Molecular Weight395.41 g/mol
Exact Mass395.16
IUPAC NameN-(2,4-difluorophenyl)-1-(6-pyridin-4-ylpyridazin-3-yl)piperidine-3-carboxamide
SMILESO=C(Nc1ccc(F)cc1F)C1CCCN(c2ccc(-c3ccncc3)nn2)C1
InChIInChI=1S/C21H19F2N5O/c22-16-3-4-19(17(23)12-16)25-21(29)15-2-1-11-28(13-15)20-6-5-18(26-27-20)14-7-9-24-10-8-14/h3-10,12,15H,1-2,11,13H2,(H,25,29)
InChIKeyPWTQEAUMNSNVJO-UHFFFAOYSA-N
XLogP3.67
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.41
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,4-difluorophenyl)-1-(6-pyridin-3-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 121070992
(3R)-1-[6-(4-fluorophenyl)pyridazin-3-yl]-N-pyridin-4-ylpiperidine-3-carboxamide
CID 30353337
N-pyridin-4-yl-1-(6-pyridin-4-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 121070781
N-(2,4-difluorophenyl)-1-[6-(2-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide
CID 121070657
N-[4-fluoro-3-(trifluoromethyl)phenyl]-1-(6-pyridin-4-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 121070850
N-(3,5-dimethylphenyl)-1-(6-pyridin-4-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 121070841
(3R)-1-[6-(4-fluorophenyl)pyridazin-3-yl]-N-(3-methylphenyl)piperidine-3-carboxamide
CID 30353811
N-(2-cyanophenyl)-1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidine-3-carboxamide
CID 121071274
1-[6-(4-fluorophenyl)pyridazin-3-yl]-N-(2-methoxy-4-nitrophenyl)piperidine-3-carboxamide
CID 121071300
N-(2,5-difluorophenyl)-1-(6-imidazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 90514846
N-(4-bromo-3-methylphenyl)-1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidine-3-carboxamide
CID 121071302
(3S)-N-(3-chloro-4-fluorophenyl)-1-(6-phenylpyridazin-3-yl)piperidine-3-carboxamide
CID 30351026

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-1-(6-pyridin-4-ylpyridazin-3-yl)piperidine-3-carboxamide?
The IUPAC name of N-(2,4-difluorophenyl)-1-(6-pyridin-4-ylpyridazin-3-yl)piperidine-3-carboxamide (CID 121070816) is N-(2,4-difluorophenyl)-1-(6-pyridin-4-ylpyridazin-3-yl)piperidine-3-carboxamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-1-(6-pyridin-4-ylpyridazin-3-yl)piperidine-3-carboxamide?
The canonical SMILES for N-(2,4-difluorophenyl)-1-(6-pyridin-4-ylpyridazin-3-yl)piperidine-3-carboxamide is O=C(Nc1ccc(F)cc1F)C1CCCN(c2ccc(-c3ccncc3)nn2)C1.
What is the InChIKey of N-(2,4-difluorophenyl)-1-(6-pyridin-4-ylpyridazin-3-yl)piperidine-3-carboxamide?
The InChIKey is PWTQEAUMNSNVJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F2N5O/c22-16-3-4-19(17(23)12-16)25-21(29)15-2-1-11-28(13-15)20-6-5-18(26-27-20)14-7-9-24-10-8-14/h3-10,12,15H,1-2,11,13H2,(H,25,29).
What are the key properties of N-(2,4-difluorophenyl)-1-(6-pyridin-4-ylpyridazin-3-yl)piperidine-3-carboxamide?
N-(2,4-difluorophenyl)-1-(6-pyridin-4-ylpyridazin-3-yl)piperidine-3-carboxamide has a molecular weight of 395.41 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-1-(6-pyridin-4-ylpyridazin-3-yl)piperidine-3-carboxamide is sourced from PubChem (CID 121070816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).