N-(4-carbamoylphenyl)-1-(6-pyridin-4-ylpyridazin-3-yl)piperidine-4-carboxamide

C22H22N6O2 — CID 30364662

IUPACN-(4-carbamoylphenyl)-1-(6-pyridin-4-ylpyridazin-3-yl)piperidine-4-carboxamide
SMILESNC(=O)c1ccc(NC(=O)C2CCN(c3ccc(-c4ccncc4)nn3)CC2)cc1
InChIInChI=1S/C22H22N6O2/c23-21(29)16-1-3-18(4-2-16)25-22(30)17-9-13-28(14-10-17)20-6-5-19(26-27-20)15-7-11-24-12-8-15/h1-8,11-12,17H,9-10,13-14H2,(H2,23,29)(H,25,30)
InChIKeyDKSWRYUXPLNXJU-UHFFFAOYSA-N
MW402.46 g/mol
LogP2.49
Rot. Bonds5

About N-(4-carbamoylphenyl)-1-(6-pyridin-4-ylpyridazin-3-yl)piperidine-4-carboxamide

N-(4-carbamoylphenyl)-1-(6-pyridin-4-ylpyridazin-3-yl)piperidine-4-carboxamide (PubChem CID 30364662) has the molecular formula C22H22N6O2 and a molecular weight of 402.46 g/mol. Its IUPAC name is N-(4-carbamoylphenyl)-1-(6-pyridin-4-ylpyridazin-3-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-carbamoylphenyl)-1-(6-pyridin-4-ylpyridazin-3-yl)piperidine-4-carboxamide
PubChem CID30364662
Molecular FormulaC22H22N6O2
Molecular Weight402.46 g/mol
Exact Mass402.18
IUPAC NameN-(4-carbamoylphenyl)-1-(6-pyridin-4-ylpyridazin-3-yl)piperidine-4-carboxamide
SMILESNC(=O)c1ccc(NC(=O)C2CCN(c3ccc(-c4ccncc4)nn3)CC2)cc1
InChIInChI=1S/C22H22N6O2/c23-21(29)16-1-3-18(4-2-16)25-22(30)17-9-13-28(14-10-17)20-6-5-19(26-27-20)15-7-11-24-12-8-15/h1-8,11-12,17H,9-10,13-14H2,(H2,23,29)(H,25,30)
InChIKeyDKSWRYUXPLNXJU-UHFFFAOYSA-N
XLogP2.49
TPSA114.10 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.46
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(4-carbamoylphenyl)-1-(6-pyridin-4-ylpyridazin-3-yl)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

Related Compounds

1-(6-pyridin-4-ylpyridazin-3-yl)-N-[4-(trifluoromethoxy)phenyl]piperidine-4-carboxamide
CID 30364763
N-(4-carbamoylphenyl)-1-[6-(furan-2-yl)pyridazin-3-yl]piperidine-4-carboxamide
CID 30364254
N-pyridin-4-yl-1-(6-pyridin-4-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 121070781
methyl 4-[[1-(6-pyridin-3-ylpyridazin-3-yl)piperidine-4-carbonyl]amino]benzoate
CID 30365220
N-(2-methylphenyl)-1-(6-pyridin-4-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 30364975
N-cyclopentyl-1-(6-pyridin-4-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 30364801
1-(6-pyridin-4-ylpyridazin-3-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]piperidine-4-carboxamide
CID 30364674
(3S)-N-(4-carbamoylphenyl)-1-[6-(4-chlorophenyl)pyridazin-3-yl]piperidine-3-carboxamide
CID 30866208
N-(4-methylsulfanylphenyl)-1-(6-phenylpyridazin-3-yl)piperidine-4-carboxamide
CID 121072060
N-(4-methoxyphenyl)-1-[6-(4-methylphenyl)pyridazin-3-yl]piperidine-4-carboxamide
CID 53025290
N-(1,3-benzothiazol-2-yl)-1-(6-pyridin-4-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 30364899
N-(3,4-difluorophenyl)-1-(6-pyridin-3-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 30365350

Frequently Asked Questions

What is the IUPAC name of N-(4-carbamoylphenyl)-1-(6-pyridin-4-ylpyridazin-3-yl)piperidine-4-carboxamide?
The IUPAC name of N-(4-carbamoylphenyl)-1-(6-pyridin-4-ylpyridazin-3-yl)piperidine-4-carboxamide (CID 30364662) is N-(4-carbamoylphenyl)-1-(6-pyridin-4-ylpyridazin-3-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-(4-carbamoylphenyl)-1-(6-pyridin-4-ylpyridazin-3-yl)piperidine-4-carboxamide?
The canonical SMILES for N-(4-carbamoylphenyl)-1-(6-pyridin-4-ylpyridazin-3-yl)piperidine-4-carboxamide is NC(=O)c1ccc(NC(=O)C2CCN(c3ccc(-c4ccncc4)nn3)CC2)cc1.
What is the InChIKey of N-(4-carbamoylphenyl)-1-(6-pyridin-4-ylpyridazin-3-yl)piperidine-4-carboxamide?
The InChIKey is DKSWRYUXPLNXJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6O2/c23-21(29)16-1-3-18(4-2-16)25-22(30)17-9-13-28(14-10-17)20-6-5-19(26-27-20)15-7-11-24-12-8-15/h1-8,11-12,17H,9-10,13-14H2,(H2,23,29)(H,25,30).
What are the key properties of N-(4-carbamoylphenyl)-1-(6-pyridin-4-ylpyridazin-3-yl)piperidine-4-carboxamide?
N-(4-carbamoylphenyl)-1-(6-pyridin-4-ylpyridazin-3-yl)piperidine-4-carboxamide has a molecular weight of 402.46 g/mol, XLogP of 2.49, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbamoylphenyl)-1-(6-pyridin-4-ylpyridazin-3-yl)piperidine-4-carboxamide is sourced from PubChem (CID 30364662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).