N-(1-benzylpiperidin-4-yl)-1-[6-(quinolin-6-ylamino)pyridazin-3-yl]piperidine-4-carboxamide

C31H35N7O — CID 117086991

IUPACN-(1-benzylpiperidin-4-yl)-1-[6-(quinolin-6-ylamino)pyridazin-3-yl]piperidine-4-carboxamide
SMILESO=C(NC1CCN(Cc2ccccc2)CC1)C1CCN(c2ccc(Nc3ccc4ncccc4c3)nn2)CC1
InChIInChI=1S/C31H35N7O/c39-31(34-26-14-17-37(18-15-26)22-23-5-2-1-3-6-23)24-12-19-38(20-13-24)30-11-10-29(35-36-30)33-27-8-9-28-25(21-27)7-4-16-32-28/h1-11,16,21,24,26H,12-15,17-20,22H2,(H,33,35)(H,34,39)
InChIKeyLODHYJRMCJFMLM-UHFFFAOYSA-N
MW521.67 g/mol
LogP4.77
Rot. Bonds7

About N-(1-benzylpiperidin-4-yl)-1-[6-(quinolin-6-ylamino)pyridazin-3-yl]piperidine-4-carboxamide

N-(1-benzylpiperidin-4-yl)-1-[6-(quinolin-6-ylamino)pyridazin-3-yl]piperidine-4-carboxamide (PubChem CID 117086991) has the molecular formula C31H35N7O and a molecular weight of 521.67 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-1-[6-(quinolin-6-ylamino)pyridazin-3-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-1-[6-(quinolin-6-ylamino)pyridazin-3-yl]piperidine-4-carboxamide
PubChem CID117086991
Molecular FormulaC31H35N7O
Molecular Weight521.67 g/mol
Exact Mass521.29
IUPAC NameN-(1-benzylpiperidin-4-yl)-1-[6-(quinolin-6-ylamino)pyridazin-3-yl]piperidine-4-carboxamide
SMILESO=C(NC1CCN(Cc2ccccc2)CC1)C1CCN(c2ccc(Nc3ccc4ncccc4c3)nn2)CC1
InChIInChI=1S/C31H35N7O/c39-31(34-26-14-17-37(18-15-26)22-23-5-2-1-3-6-23)24-12-19-38(20-13-24)30-11-10-29(35-36-30)33-27-8-9-28-25(21-27)7-4-16-32-28/h1-11,16,21,24,26H,12-15,17-20,22H2,(H,33,35)(H,34,39)
InChIKeyLODHYJRMCJFMLM-UHFFFAOYSA-N
XLogP4.77
TPSA86.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500521.67
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-(1-benzylpiperidin-4-yl)-1-[6-(quinolin-6-ylamino)pyridazin-3-yl]piperidine-4-carboxamide with MolForge

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Related Compounds

N-(1-benzylpiperidin-4-yl)-1-[6-(isoquinolin-1-ylamino)pyridazin-3-yl]piperidine-4-carboxamide
CID 117086564
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CID 2186968
N-(1-benzylpiperidin-4-yl)-1-[6-(4-methylphenyl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 53026718
N-[6-(4-benzylpiperazin-1-yl)pyridazin-3-yl]cyclobutanecarboxamide
CID 113043076
N-[4-chloro-3-[[4-(cyclopentylcarbamoyl)piperidin-1-yl]methyl]phenyl]quinoline-6-carboxamide
CID 72703844
N-(1-benzylpiperidin-4-yl)cyclobutanecarboxamide
CID 2729529
1-(6-anilinopyridazin-3-yl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 117084317
N-(1-benzylpiperidin-4-yl)-1-(5-phenylpyrimidin-2-yl)piperidine-4-carboxamide
CID 53010355
N-(1-benzylpiperidin-4-yl)-1-pyrrolo[1,2-a]quinoxalin-4-ylpiperidine-4-carboxamide
CID 22522832
(3S)-N-(1-benzylpiperidin-4-yl)-1-(6-chloropyridazin-3-yl)piperidine-3-carboxamide
CID 96558501
N-(1-benzylpiperidin-4-yl)-N'-[2-(4-phenylpiperidin-1-yl)quinolin-6-yl]butanediamide
CID 73388766
1-acetyl-N-(1-benzylpiperidin-4-yl)piperidine-4-carboxamide
CID 108804424

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-1-[6-(quinolin-6-ylamino)pyridazin-3-yl]piperidine-4-carboxamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-1-[6-(quinolin-6-ylamino)pyridazin-3-yl]piperidine-4-carboxamide (CID 117086991) is N-(1-benzylpiperidin-4-yl)-1-[6-(quinolin-6-ylamino)pyridazin-3-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-1-[6-(quinolin-6-ylamino)pyridazin-3-yl]piperidine-4-carboxamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-1-[6-(quinolin-6-ylamino)pyridazin-3-yl]piperidine-4-carboxamide is O=C(NC1CCN(Cc2ccccc2)CC1)C1CCN(c2ccc(Nc3ccc4ncccc4c3)nn2)CC1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-1-[6-(quinolin-6-ylamino)pyridazin-3-yl]piperidine-4-carboxamide?
The InChIKey is LODHYJRMCJFMLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H35N7O/c39-31(34-26-14-17-37(18-15-26)22-23-5-2-1-3-6-23)24-12-19-38(20-13-24)30-11-10-29(35-36-30)33-27-8-9-28-25(21-27)7-4-16-32-28/h1-11,16,21,24,26H,12-15,17-20,22H2,(H,33,35)(H,34,39).
What are the key properties of N-(1-benzylpiperidin-4-yl)-1-[6-(quinolin-6-ylamino)pyridazin-3-yl]piperidine-4-carboxamide?
N-(1-benzylpiperidin-4-yl)-1-[6-(quinolin-6-ylamino)pyridazin-3-yl]piperidine-4-carboxamide has a molecular weight of 521.67 g/mol, XLogP of 4.77, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-1-[6-(quinolin-6-ylamino)pyridazin-3-yl]piperidine-4-carboxamide is sourced from PubChem (CID 117086991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).