6-(4-benzylpiperidin-1-yl)-N-naphthalen-1-ylpyridazine-3-carboxamide

C27H26N4O — CID 121028392

IUPAC6-(4-benzylpiperidin-1-yl)-N-naphthalen-1-ylpyridazine-3-carboxamide
SMILESO=C(Nc1cccc2ccccc12)c1ccc(N2CCC(Cc3ccccc3)CC2)nn1
InChIInChI=1S/C27H26N4O/c32-27(28-24-12-6-10-22-9-4-5-11-23(22)24)25-13-14-26(30-29-25)31-17-15-21(16-18-31)19-20-7-2-1-3-8-20/h1-14,21H,15-19H2,(H,28,32)
InChIKeyKAIFWUIUYZXNLF-UHFFFAOYSA-N
MW422.53 g/mol
LogP5.34
Rot. Bonds5

About 6-(4-benzylpiperidin-1-yl)-N-naphthalen-1-ylpyridazine-3-carboxamide

6-(4-benzylpiperidin-1-yl)-N-naphthalen-1-ylpyridazine-3-carboxamide (PubChem CID 121028392) has the molecular formula C27H26N4O and a molecular weight of 422.53 g/mol. Its IUPAC name is 6-(4-benzylpiperidin-1-yl)-N-naphthalen-1-ylpyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(4-benzylpiperidin-1-yl)-N-naphthalen-1-ylpyridazine-3-carboxamide
PubChem CID121028392
Molecular FormulaC27H26N4O
Molecular Weight422.53 g/mol
Exact Mass422.21
IUPAC Name6-(4-benzylpiperidin-1-yl)-N-naphthalen-1-ylpyridazine-3-carboxamide
SMILESO=C(Nc1cccc2ccccc12)c1ccc(N2CCC(Cc3ccccc3)CC2)nn1
InChIInChI=1S/C27H26N4O/c32-27(28-24-12-6-10-22-9-4-5-11-23(22)24)25-13-14-26(30-29-25)31-17-15-21(16-18-31)19-20-7-2-1-3-8-20/h1-14,21H,15-19H2,(H,28,32)
InChIKeyKAIFWUIUYZXNLF-UHFFFAOYSA-N
XLogP5.34
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.53
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(4-benzylpiperidin-1-yl)-N-quinolin-5-ylpyridazine-3-carboxamide
CID 121028559
6-(4-benzylpiperidin-1-yl)-N-pyrimidin-2-ylpyridazine-3-carboxamide
CID 121028453
6-(4-benzylpiperidin-1-yl)-N-(2-imidazo[1,2-a]pyridin-2-ylphenyl)pyridazine-3-carboxamide
CID 121149048
6-(4-benzylpiperidin-1-yl)-N-pyridin-2-ylpyridazine-3-carboxamide
CID 121028359
6-(4-benzylpiperidin-1-yl)-N-cyclohexylpyridazine-3-carboxamide
CID 121028303
6-(4-benzylpiperidin-1-yl)-N-[(4-fluorophenyl)methyl]pyridazine-3-carboxamide
CID 121028384
6-(4-benzylpiperidin-1-yl)-N-(4-methyl-1,3-benzothiazol-2-yl)pyridazine-3-carboxamide
CID 121028505
6-(4-benzylpiperidin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)pyridazine-3-carboxamide
CID 71778645
6-(4-benzylpiperidin-1-yl)-N-(furan-2-ylmethyl)pyridazine-3-carboxamide
CID 71778620
1-(6-methylpyridazin-3-yl)-N-naphthalen-1-ylpiperidine-4-carboxamide
CID 121118852
methyl N-[6-(4-benzylpiperidin-1-yl)pyridazin-3-yl]carbamate
CID 113044887
N-[6-(4-benzylpiperidin-1-yl)pyridazin-3-yl]-2-methylpropanamide
CID 113044874

Frequently Asked Questions

What is the IUPAC name of 6-(4-benzylpiperidin-1-yl)-N-naphthalen-1-ylpyridazine-3-carboxamide?
The IUPAC name of 6-(4-benzylpiperidin-1-yl)-N-naphthalen-1-ylpyridazine-3-carboxamide (CID 121028392) is 6-(4-benzylpiperidin-1-yl)-N-naphthalen-1-ylpyridazine-3-carboxamide.
What is the SMILES notation for 6-(4-benzylpiperidin-1-yl)-N-naphthalen-1-ylpyridazine-3-carboxamide?
The canonical SMILES for 6-(4-benzylpiperidin-1-yl)-N-naphthalen-1-ylpyridazine-3-carboxamide is O=C(Nc1cccc2ccccc12)c1ccc(N2CCC(Cc3ccccc3)CC2)nn1.
What is the InChIKey of 6-(4-benzylpiperidin-1-yl)-N-naphthalen-1-ylpyridazine-3-carboxamide?
The InChIKey is KAIFWUIUYZXNLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N4O/c32-27(28-24-12-6-10-22-9-4-5-11-23(22)24)25-13-14-26(30-29-25)31-17-15-21(16-18-31)19-20-7-2-1-3-8-20/h1-14,21H,15-19H2,(H,28,32).
What are the key properties of 6-(4-benzylpiperidin-1-yl)-N-naphthalen-1-ylpyridazine-3-carboxamide?
6-(4-benzylpiperidin-1-yl)-N-naphthalen-1-ylpyridazine-3-carboxamide has a molecular weight of 422.53 g/mol, XLogP of 5.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-benzylpiperidin-1-yl)-N-naphthalen-1-ylpyridazine-3-carboxamide is sourced from PubChem (CID 121028392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).