N-benzhydryl-1-[6-(4-methoxyphenyl)pyridazin-3-yl]piperidine-3-carboxamide

C30H30N4O2 — CID 121070397

IUPACN-benzhydryl-1-[6-(4-methoxyphenyl)pyridazin-3-yl]piperidine-3-carboxamide
SMILESCOc1ccc(-c2ccc(N3CCCC(C(=O)NC(c4ccccc4)c4ccccc4)C3)nn2)cc1
InChIInChI=1S/C30H30N4O2/c1-36-26-16-14-22(15-17-26)27-18-19-28(33-32-27)34-20-8-13-25(21-34)30(35)31-29(23-9-4-2-5-10-23)24-11-6-3-7-12-24/h2-7,9-12,14-19,25,29H,8,13,20-21H2,1H3,(H,31,35)
InChIKeySNHVARJNHDLIDI-UHFFFAOYSA-N
MW478.60 g/mol
LogP5.27
Rot. Bonds7

About N-benzhydryl-1-[6-(4-methoxyphenyl)pyridazin-3-yl]piperidine-3-carboxamide

N-benzhydryl-1-[6-(4-methoxyphenyl)pyridazin-3-yl]piperidine-3-carboxamide (PubChem CID 121070397) has the molecular formula C30H30N4O2 and a molecular weight of 478.60 g/mol. Its IUPAC name is N-benzhydryl-1-[6-(4-methoxyphenyl)pyridazin-3-yl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-benzhydryl-1-[6-(4-methoxyphenyl)pyridazin-3-yl]piperidine-3-carboxamide
PubChem CID121070397
Molecular FormulaC30H30N4O2
Molecular Weight478.60 g/mol
Exact Mass478.24
IUPAC NameN-benzhydryl-1-[6-(4-methoxyphenyl)pyridazin-3-yl]piperidine-3-carboxamide
SMILESCOc1ccc(-c2ccc(N3CCCC(C(=O)NC(c4ccccc4)c4ccccc4)C3)nn2)cc1
InChIInChI=1S/C30H30N4O2/c1-36-26-16-14-22(15-17-26)27-18-19-28(33-32-27)34-20-8-13-25(21-34)30(35)31-29(23-9-4-2-5-10-23)24-11-6-3-7-12-24/h2-7,9-12,14-19,25,29H,8,13,20-21H2,1H3,(H,31,35)
InChIKeySNHVARJNHDLIDI-UHFFFAOYSA-N
XLogP5.27
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.60
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 1-[6-(4-methoxyphenyl)pyridazin-3-yl]piperidine-3-carboxylate
CID 108773382
(3S)-N-(4-methoxyphenyl)-1-[6-(4-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide
CID 93055834
(3S)-N-benzhydryl-1-(6-chloropyridazin-3-yl)piperidine-3-carboxamide
CID 51955070
1-[6-(4-methoxyphenyl)pyridazin-3-yl]-N-[2-(4-methylphenoxy)ethyl]piperidine-3-carboxamide
CID 121071116
1-[6-(4-methylphenyl)pyridazin-3-yl]-N-phenylpiperidine-3-carboxamide
CID 53025060
(3S)-N-(1,3-benzodioxol-5-yl)-1-[6-(4-methoxyphenyl)pyridazin-3-yl]piperidine-3-carboxamide
CID 30866144
(3S)-1-(6-chloropyridazin-3-yl)-N-[(S)-(4-fluorophenyl)-phenylmethyl]piperidine-3-carboxamide
CID 51956085
(3S)-1-(6-phenylpyridazin-3-yl)-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide
CID 30351004
N-[(4-methoxyphenyl)-phenylmethyl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 55414462
1-[6-(4-methoxyphenyl)pyridazin-3-yl]-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]piperidine-3-carboxamide
CID 121071163
1-(6-methylpyridazin-3-yl)-N-(1-phenylethyl)piperidine-3-carboxamide
CID 121118534
3-(4-methoxyphenyl)-6-pyrrolidin-1-ylpyridazine
CID 101436801

Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-1-[6-(4-methoxyphenyl)pyridazin-3-yl]piperidine-3-carboxamide?
The IUPAC name of N-benzhydryl-1-[6-(4-methoxyphenyl)pyridazin-3-yl]piperidine-3-carboxamide (CID 121070397) is N-benzhydryl-1-[6-(4-methoxyphenyl)pyridazin-3-yl]piperidine-3-carboxamide.
What is the SMILES notation for N-benzhydryl-1-[6-(4-methoxyphenyl)pyridazin-3-yl]piperidine-3-carboxamide?
The canonical SMILES for N-benzhydryl-1-[6-(4-methoxyphenyl)pyridazin-3-yl]piperidine-3-carboxamide is COc1ccc(-c2ccc(N3CCCC(C(=O)NC(c4ccccc4)c4ccccc4)C3)nn2)cc1.
What is the InChIKey of N-benzhydryl-1-[6-(4-methoxyphenyl)pyridazin-3-yl]piperidine-3-carboxamide?
The InChIKey is SNHVARJNHDLIDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30N4O2/c1-36-26-16-14-22(15-17-26)27-18-19-28(33-32-27)34-20-8-13-25(21-34)30(35)31-29(23-9-4-2-5-10-23)24-11-6-3-7-12-24/h2-7,9-12,14-19,25,29H,8,13,20-21H2,1H3,(H,31,35).
What are the key properties of N-benzhydryl-1-[6-(4-methoxyphenyl)pyridazin-3-yl]piperidine-3-carboxamide?
N-benzhydryl-1-[6-(4-methoxyphenyl)pyridazin-3-yl]piperidine-3-carboxamide has a molecular weight of 478.60 g/mol, XLogP of 5.27, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-1-[6-(4-methoxyphenyl)pyridazin-3-yl]piperidine-3-carboxamide is sourced from PubChem (CID 121070397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).