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

C22H23N5O — CID 121070904

IUPACN-methyl-N-phenyl-1-(6-pyridin-4-ylpyridazin-3-yl)piperidine-3-carboxamide
SMILESCN(C(=O)C1CCCN(c2ccc(-c3ccncc3)nn2)C1)c1ccccc1
InChIInChI=1S/C22H23N5O/c1-26(19-7-3-2-4-8-19)22(28)18-6-5-15-27(16-18)21-10-9-20(24-25-21)17-11-13-23-14-12-17/h2-4,7-14,18H,5-6,15-16H2,1H3
InChIKeyOAYCWKYQVQFYNX-UHFFFAOYSA-N
MW373.46 g/mol
LogP3.42
Rot. Bonds4

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

N-methyl-N-phenyl-1-(6-pyridin-4-ylpyridazin-3-yl)piperidine-3-carboxamide (PubChem CID 121070904) has the molecular formula C22H23N5O and a molecular weight of 373.46 g/mol. Its IUPAC name is N-methyl-N-phenyl-1-(6-pyridin-4-ylpyridazin-3-yl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-N-phenyl-1-(6-pyridin-4-ylpyridazin-3-yl)piperidine-3-carboxamide
PubChem CID121070904
Molecular FormulaC22H23N5O
Molecular Weight373.46 g/mol
Exact Mass373.19
IUPAC NameN-methyl-N-phenyl-1-(6-pyridin-4-ylpyridazin-3-yl)piperidine-3-carboxamide
SMILESCN(C(=O)C1CCCN(c2ccc(-c3ccncc3)nn2)C1)c1ccccc1
InChIInChI=1S/C22H23N5O/c1-26(19-7-3-2-4-8-19)22(28)18-6-5-15-27(16-18)21-10-9-20(24-25-21)17-11-13-23-14-12-17/h2-4,7-14,18H,5-6,15-16H2,1H3
InChIKeyOAYCWKYQVQFYNX-UHFFFAOYSA-N
XLogP3.42
TPSA62.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-N-phenyl-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 90514486
N-pyridin-4-yl-1-(6-pyridin-4-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 121070781
N-(3,5-dimethylphenyl)-1-(6-pyridin-4-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 121070841
(4-methylpiperidin-1-yl)-[1-(6-phenylpyridazin-3-yl)piperidin-3-yl]methanone
CID 53025387
1-(6-phenylpyridazin-3-yl)pyrrolidine-3-carboxylic acid
CID 116972743
N-[3-(N-methylanilino)propyl]-1-[6-(4-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide
CID 53025081
1-[6-(4-methylphenyl)pyridazin-3-yl]-N-phenylpiperidine-3-carboxamide
CID 53025060
(3S)-N-butyl-N-methyl-1-[6-(4-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide
CID 93055757
(3S)-N-(3-acetamidophenyl)-1-(6-phenylpyridazin-3-yl)piperidine-3-carboxamide
CID 30866093
N-methyl-1-(6-methylpyridazin-3-yl)-N-phenylpiperidine-4-carboxamide
CID 121118902
(3R)-1-[6-(4-fluorophenyl)pyridazin-3-yl]-N-pyridin-4-ylpiperidine-3-carboxamide
CID 30353337
(3S)-N-(3-acetylphenyl)-1-(6-phenylpyridazin-3-yl)piperidine-3-carboxamide
CID 30866083

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-phenyl-1-(6-pyridin-4-ylpyridazin-3-yl)piperidine-3-carboxamide?
The IUPAC name of N-methyl-N-phenyl-1-(6-pyridin-4-ylpyridazin-3-yl)piperidine-3-carboxamide (CID 121070904) is N-methyl-N-phenyl-1-(6-pyridin-4-ylpyridazin-3-yl)piperidine-3-carboxamide.
What is the SMILES notation for N-methyl-N-phenyl-1-(6-pyridin-4-ylpyridazin-3-yl)piperidine-3-carboxamide?
The canonical SMILES for N-methyl-N-phenyl-1-(6-pyridin-4-ylpyridazin-3-yl)piperidine-3-carboxamide is CN(C(=O)C1CCCN(c2ccc(-c3ccncc3)nn2)C1)c1ccccc1.
What is the InChIKey of N-methyl-N-phenyl-1-(6-pyridin-4-ylpyridazin-3-yl)piperidine-3-carboxamide?
The InChIKey is OAYCWKYQVQFYNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O/c1-26(19-7-3-2-4-8-19)22(28)18-6-5-15-27(16-18)21-10-9-20(24-25-21)17-11-13-23-14-12-17/h2-4,7-14,18H,5-6,15-16H2,1H3.
What are the key properties of N-methyl-N-phenyl-1-(6-pyridin-4-ylpyridazin-3-yl)piperidine-3-carboxamide?
N-methyl-N-phenyl-1-(6-pyridin-4-ylpyridazin-3-yl)piperidine-3-carboxamide has a molecular weight of 373.46 g/mol, XLogP of 3.42, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-phenyl-1-(6-pyridin-4-ylpyridazin-3-yl)piperidine-3-carboxamide is sourced from PubChem (CID 121070904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).