N-butyl-1-[6-(2-methoxyphenyl)pyridazin-3-yl]-N-phenylpiperidine-4-carboxamide

C27H32N4O2 — CID 121071983

IUPACN-butyl-1-[6-(2-methoxyphenyl)pyridazin-3-yl]-N-phenylpiperidine-4-carboxamide
SMILESCCCCN(C(=O)C1CCN(c2ccc(-c3ccccc3OC)nn2)CC1)c1ccccc1
InChIInChI=1S/C27H32N4O2/c1-3-4-18-31(22-10-6-5-7-11-22)27(32)21-16-19-30(20-17-21)26-15-14-24(28-29-26)23-12-8-9-13-25(23)33-2/h5-15,21H,3-4,16-20H2,1-2H3
InChIKeyMNRSMPNPOQVYOS-UHFFFAOYSA-N
MW444.58 g/mol
LogP5.20
Rot. Bonds8

About N-butyl-1-[6-(2-methoxyphenyl)pyridazin-3-yl]-N-phenylpiperidine-4-carboxamide

N-butyl-1-[6-(2-methoxyphenyl)pyridazin-3-yl]-N-phenylpiperidine-4-carboxamide (PubChem CID 121071983) has the molecular formula C27H32N4O2 and a molecular weight of 444.58 g/mol. Its IUPAC name is N-butyl-1-[6-(2-methoxyphenyl)pyridazin-3-yl]-N-phenylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-butyl-1-[6-(2-methoxyphenyl)pyridazin-3-yl]-N-phenylpiperidine-4-carboxamide
PubChem CID121071983
Molecular FormulaC27H32N4O2
Molecular Weight444.58 g/mol
Exact Mass444.25
IUPAC NameN-butyl-1-[6-(2-methoxyphenyl)pyridazin-3-yl]-N-phenylpiperidine-4-carboxamide
SMILESCCCCN(C(=O)C1CCN(c2ccc(-c3ccccc3OC)nn2)CC1)c1ccccc1
InChIInChI=1S/C27H32N4O2/c1-3-4-18-31(22-10-6-5-7-11-22)27(32)21-16-19-30(20-17-21)26-15-14-24(28-29-26)23-12-8-9-13-25(23)33-2/h5-15,21H,3-4,16-20H2,1-2H3
InChIKeyMNRSMPNPOQVYOS-UHFFFAOYSA-N
XLogP5.20
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.58
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(1S)-1-[1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidin-4-yl]propan-1-ol
CID 95549741
[1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidin-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 30362919
N-butyl-N-(3-methylphenyl)-1-(6-methylpyridazin-3-yl)piperidine-4-carboxamide
CID 121119096
N-butyl-N-[2-[4-[6-(2-chlorophenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]cyclopropanecarboxamide
CID 46001938
1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidin-4-amine
CID 56770334
N-[(4-fluorophenyl)methyl]-1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidine-4-carboxamide
CID 30363214
(4-benzhydrylpiperazin-1-yl)-[1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidin-4-yl]methanone
CID 121071624
N-(3,4-dimethoxyphenyl)-1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidine-4-carboxamide
CID 30363123
N-(2,3-dichlorophenyl)-1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidine-4-carboxamide
CID 121071987
1-[6-(2-chlorophenyl)pyridazin-3-yl]piperidine-4-carboxylic acid
CID 56770692
N-butyl-N-[2-[4-[6-(2,4-dimethoxyphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl]-2-oxoethyl]cyclobutanecarboxamide
CID 42833384
1-[6-(2-methoxyphenyl)pyridazin-3-yl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 30362950

Frequently Asked Questions

What is the IUPAC name of N-butyl-1-[6-(2-methoxyphenyl)pyridazin-3-yl]-N-phenylpiperidine-4-carboxamide?
The IUPAC name of N-butyl-1-[6-(2-methoxyphenyl)pyridazin-3-yl]-N-phenylpiperidine-4-carboxamide (CID 121071983) is N-butyl-1-[6-(2-methoxyphenyl)pyridazin-3-yl]-N-phenylpiperidine-4-carboxamide.
What is the SMILES notation for N-butyl-1-[6-(2-methoxyphenyl)pyridazin-3-yl]-N-phenylpiperidine-4-carboxamide?
The canonical SMILES for N-butyl-1-[6-(2-methoxyphenyl)pyridazin-3-yl]-N-phenylpiperidine-4-carboxamide is CCCCN(C(=O)C1CCN(c2ccc(-c3ccccc3OC)nn2)CC1)c1ccccc1.
What is the InChIKey of N-butyl-1-[6-(2-methoxyphenyl)pyridazin-3-yl]-N-phenylpiperidine-4-carboxamide?
The InChIKey is MNRSMPNPOQVYOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N4O2/c1-3-4-18-31(22-10-6-5-7-11-22)27(32)21-16-19-30(20-17-21)26-15-14-24(28-29-26)23-12-8-9-13-25(23)33-2/h5-15,21H,3-4,16-20H2,1-2H3.
What are the key properties of N-butyl-1-[6-(2-methoxyphenyl)pyridazin-3-yl]-N-phenylpiperidine-4-carboxamide?
N-butyl-1-[6-(2-methoxyphenyl)pyridazin-3-yl]-N-phenylpiperidine-4-carboxamide has a molecular weight of 444.58 g/mol, XLogP of 5.20, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-1-[6-(2-methoxyphenyl)pyridazin-3-yl]-N-phenylpiperidine-4-carboxamide is sourced from PubChem (CID 121071983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).