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

C23H25N5O — CID 121071643

IUPACN-(1-phenylethyl)-1-(6-pyridin-4-ylpyridazin-3-yl)piperidine-4-carboxamide
SMILESCC(NC(=O)C1CCN(c2ccc(-c3ccncc3)nn2)CC1)c1ccccc1
InChIInChI=1S/C23H25N5O/c1-17(18-5-3-2-4-6-18)25-23(29)20-11-15-28(16-12-20)22-8-7-21(26-27-22)19-9-13-24-14-10-19/h2-10,13-14,17,20H,11-12,15-16H2,1H3,(H,25,29)
InChIKeyMBRAQLQMZBXZQC-UHFFFAOYSA-N
MW387.49 g/mol
LogP3.63
Rot. Bonds5

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

N-(1-phenylethyl)-1-(6-pyridin-4-ylpyridazin-3-yl)piperidine-4-carboxamide (PubChem CID 121071643) has the molecular formula C23H25N5O and a molecular weight of 387.49 g/mol. Its IUPAC name is N-(1-phenylethyl)-1-(6-pyridin-4-ylpyridazin-3-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(1-phenylethyl)-1-(6-pyridin-4-ylpyridazin-3-yl)piperidine-4-carboxamide
PubChem CID121071643
Molecular FormulaC23H25N5O
Molecular Weight387.49 g/mol
Exact Mass387.21
IUPAC NameN-(1-phenylethyl)-1-(6-pyridin-4-ylpyridazin-3-yl)piperidine-4-carboxamide
SMILESCC(NC(=O)C1CCN(c2ccc(-c3ccncc3)nn2)CC1)c1ccccc1
InChIInChI=1S/C23H25N5O/c1-17(18-5-3-2-4-6-18)25-23(29)20-11-15-28(16-12-20)22-8-7-21(26-27-22)19-9-13-24-14-10-19/h2-10,13-14,17,20H,11-12,15-16H2,1H3,(H,25,29)
InChIKeyMBRAQLQMZBXZQC-UHFFFAOYSA-N
XLogP3.63
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.49
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1S)-1-phenylethyl]-1-(6-pyridin-3-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 30867017
N-(2-methylphenyl)-1-(6-pyridin-4-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 30364975
N-[(1R)-1-(4-methylphenyl)ethyl]-1-[6-(3-methylphenyl)pyridazin-3-yl]piperidine-4-carboxamide
CID 93056018
N-propan-2-yl-1-(6-pyridin-3-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 30365272
N-cyclopentyl-1-(6-pyridin-4-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 30364801
N-(1,3-benzothiazol-2-yl)-1-(6-pyridin-4-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 30364899
1-(6-methylpyridazin-3-yl)-N-(1-phenylethyl)piperidine-3-carboxamide
CID 121118534
N-(4-carbamoylphenyl)-1-(6-pyridin-4-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 30364662
N-cyclohexyl-1-(6-phenylpyridazin-3-yl)piperidine-4-carboxamide
CID 30360643
1-N,4-N-bis[(1S)-1-phenylethyl]cyclohexane-1,4-dicarboxamide
CID 40636599
N-[(4-fluorophenyl)methyl]-1-(6-pyridin-4-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 30364948
N-[(1R)-1-phenylethyl]-1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidine-4-carboxamide
CID 42153408

Frequently Asked Questions

What is the IUPAC name of N-(1-phenylethyl)-1-(6-pyridin-4-ylpyridazin-3-yl)piperidine-4-carboxamide?
The IUPAC name of N-(1-phenylethyl)-1-(6-pyridin-4-ylpyridazin-3-yl)piperidine-4-carboxamide (CID 121071643) is N-(1-phenylethyl)-1-(6-pyridin-4-ylpyridazin-3-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-(1-phenylethyl)-1-(6-pyridin-4-ylpyridazin-3-yl)piperidine-4-carboxamide?
The canonical SMILES for N-(1-phenylethyl)-1-(6-pyridin-4-ylpyridazin-3-yl)piperidine-4-carboxamide is CC(NC(=O)C1CCN(c2ccc(-c3ccncc3)nn2)CC1)c1ccccc1.
What is the InChIKey of N-(1-phenylethyl)-1-(6-pyridin-4-ylpyridazin-3-yl)piperidine-4-carboxamide?
The InChIKey is MBRAQLQMZBXZQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O/c1-17(18-5-3-2-4-6-18)25-23(29)20-11-15-28(16-12-20)22-8-7-21(26-27-22)19-9-13-24-14-10-19/h2-10,13-14,17,20H,11-12,15-16H2,1H3,(H,25,29).
What are the key properties of N-(1-phenylethyl)-1-(6-pyridin-4-ylpyridazin-3-yl)piperidine-4-carboxamide?
N-(1-phenylethyl)-1-(6-pyridin-4-ylpyridazin-3-yl)piperidine-4-carboxamide has a molecular weight of 387.49 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylethyl)-1-(6-pyridin-4-ylpyridazin-3-yl)piperidine-4-carboxamide is sourced from PubChem (CID 121071643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).