1-[6-(ethylamino)pyridazin-3-yl]-N-phenylpiperidine-4-carboxamide

C18H23N5O — CID 117092980

IUPAC1-[6-(ethylamino)pyridazin-3-yl]-N-phenylpiperidine-4-carboxamide
SMILESCCNc1ccc(N2CCC(C(=O)Nc3ccccc3)CC2)nn1
InChIInChI=1S/C18H23N5O/c1-2-19-16-8-9-17(22-21-16)23-12-10-14(11-13-23)18(24)20-15-6-4-3-5-7-15/h3-9,14H,2,10-13H2,1H3,(H,19,21)(H,20,24)
InChIKeyPSYHTSMGTBOZRP-UHFFFAOYSA-N
MW325.42 g/mol
LogP2.76
Rot. Bonds5

About 1-[6-(ethylamino)pyridazin-3-yl]-N-phenylpiperidine-4-carboxamide

1-[6-(ethylamino)pyridazin-3-yl]-N-phenylpiperidine-4-carboxamide (PubChem CID 117092980) has the molecular formula C18H23N5O and a molecular weight of 325.42 g/mol. Its IUPAC name is 1-[6-(ethylamino)pyridazin-3-yl]-N-phenylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[6-(ethylamino)pyridazin-3-yl]-N-phenylpiperidine-4-carboxamide
PubChem CID117092980
Molecular FormulaC18H23N5O
Molecular Weight325.42 g/mol
Exact Mass325.19
IUPAC Name1-[6-(ethylamino)pyridazin-3-yl]-N-phenylpiperidine-4-carboxamide
SMILESCCNc1ccc(N2CCC(C(=O)Nc3ccccc3)CC2)nn1
InChIInChI=1S/C18H23N5O/c1-2-19-16-8-9-17(22-21-16)23-12-10-14(11-13-23)18(24)20-15-6-4-3-5-7-15/h3-9,14H,2,10-13H2,1H3,(H,19,21)(H,20,24)
InChIKeyPSYHTSMGTBOZRP-UHFFFAOYSA-N
XLogP2.76
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(6-methylpyridazin-3-yl)-N-(4-phenylmethoxyphenyl)piperidine-4-carboxamide
CID 121119048
6-[4-[(5-chloro-2-pyridinyl)carbamoyl]piperidin-1-yl]-N-phenylpyridazine-3-carboxamide
CID 133313945
N-(4-methylsulfanylphenyl)-1-(6-phenylpyridazin-3-yl)piperidine-4-carboxamide
CID 121072060
N-(4-ethoxyphenyl)-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 90514077
N-(4-fluorophenyl)-1-(6-methylpyridazin-3-yl)piperidine-4-carboxamide
CID 121118787
6-[4-(phenylcarbamoyl)piperidin-1-yl]pyrazine-2-carboxamide
CID 133358652
4-[6-(ethylamino)pyridazin-3-yl]-N-(4-methylphenyl)piperazine-1-carboxamide
CID 122350650
N-(4-tert-butylphenyl)-4-[6-(ethylamino)pyridazin-3-yl]piperazine-1-carboxamide
CID 122350969
N-[6-(4-benzylpiperazin-1-yl)pyridazin-3-yl]cyclobutanecarboxamide
CID 113043076
N-(4-butylphenyl)-1-[6-(2-methylphenyl)pyridazin-3-yl]piperidine-4-carboxamide
CID 30363843
1-[6-(2-anilino-2-oxoethyl)sulfanylpyridazin-3-yl]-N-propan-2-ylpiperidine-4-carboxamide
CID 50826029
1-(2-amino-2-oxoethyl)-N-phenylpiperidine-4-carboxamide
CID 9134210

Frequently Asked Questions

What is the IUPAC name of 1-[6-(ethylamino)pyridazin-3-yl]-N-phenylpiperidine-4-carboxamide?
The IUPAC name of 1-[6-(ethylamino)pyridazin-3-yl]-N-phenylpiperidine-4-carboxamide (CID 117092980) is 1-[6-(ethylamino)pyridazin-3-yl]-N-phenylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[6-(ethylamino)pyridazin-3-yl]-N-phenylpiperidine-4-carboxamide?
The canonical SMILES for 1-[6-(ethylamino)pyridazin-3-yl]-N-phenylpiperidine-4-carboxamide is CCNc1ccc(N2CCC(C(=O)Nc3ccccc3)CC2)nn1.
What is the InChIKey of 1-[6-(ethylamino)pyridazin-3-yl]-N-phenylpiperidine-4-carboxamide?
The InChIKey is PSYHTSMGTBOZRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O/c1-2-19-16-8-9-17(22-21-16)23-12-10-14(11-13-23)18(24)20-15-6-4-3-5-7-15/h3-9,14H,2,10-13H2,1H3,(H,19,21)(H,20,24).
What are the key properties of 1-[6-(ethylamino)pyridazin-3-yl]-N-phenylpiperidine-4-carboxamide?
1-[6-(ethylamino)pyridazin-3-yl]-N-phenylpiperidine-4-carboxamide has a molecular weight of 325.42 g/mol, XLogP of 2.76, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(ethylamino)pyridazin-3-yl]-N-phenylpiperidine-4-carboxamide is sourced from PubChem (CID 117092980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).