1-[6-(3-methylphenyl)pyridazin-3-yl]-N-[3-(4-methylpiperidin-1-yl)propyl]piperidine-3-carboxamide

C26H37N5O — CID 53025138

IUPAC1-[6-(3-methylphenyl)pyridazin-3-yl]-N-[3-(4-methylpiperidin-1-yl)propyl]piperidine-3-carboxamide
SMILESCc1cccc(-c2ccc(N3CCCC(C(=O)NCCCN4CCC(C)CC4)C3)nn2)c1
InChIInChI=1S/C26H37N5O/c1-20-11-16-30(17-12-20)14-5-13-27-26(32)23-8-4-15-31(19-23)25-10-9-24(28-29-25)22-7-3-6-21(2)18-22/h3,6-7,9-10,18,20,23H,4-5,8,11-17,19H2,1-2H3,(H,27,32)
InChIKeyYOIRCPFXKHAUHC-UHFFFAOYSA-N
MW435.62 g/mol
LogP3.91
Rot. Bonds7

About 1-[6-(3-methylphenyl)pyridazin-3-yl]-N-[3-(4-methylpiperidin-1-yl)propyl]piperidine-3-carboxamide

1-[6-(3-methylphenyl)pyridazin-3-yl]-N-[3-(4-methylpiperidin-1-yl)propyl]piperidine-3-carboxamide (PubChem CID 53025138) has the molecular formula C26H37N5O and a molecular weight of 435.62 g/mol. Its IUPAC name is 1-[6-(3-methylphenyl)pyridazin-3-yl]-N-[3-(4-methylpiperidin-1-yl)propyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[6-(3-methylphenyl)pyridazin-3-yl]-N-[3-(4-methylpiperidin-1-yl)propyl]piperidine-3-carboxamide
PubChem CID53025138
Molecular FormulaC26H37N5O
Molecular Weight435.62 g/mol
Exact Mass435.30
IUPAC Name1-[6-(3-methylphenyl)pyridazin-3-yl]-N-[3-(4-methylpiperidin-1-yl)propyl]piperidine-3-carboxamide
SMILESCc1cccc(-c2ccc(N3CCCC(C(=O)NCCCN4CCC(C)CC4)C3)nn2)c1
InChIInChI=1S/C26H37N5O/c1-20-11-16-30(17-12-20)14-5-13-27-26(32)23-8-4-15-31(19-23)25-10-9-24(28-29-25)22-7-3-6-21(2)18-22/h3,6-7,9-10,18,20,23H,4-5,8,11-17,19H2,1-2H3,(H,27,32)
InChIKeyYOIRCPFXKHAUHC-UHFFFAOYSA-N
XLogP3.91
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.62
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(3S)-1-[6-(3-methylphenyl)pyridazin-3-yl]-N-(3-morpholin-4-ylpropyl)piperidine-3-carboxamide
CID 93055910
(3R)-N-butyl-1-[6-(3-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide
CID 93055886
(3S)-1-[6-(4-methylphenyl)pyridazin-3-yl]-N-(3-morpholin-4-ylpropyl)piperidine-3-carboxamide
CID 93055758
(3S)-N-[(4-methylphenyl)methyl]-1-[6-(3-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide
CID 93056001
(3S)-N-[2-(cyclohexen-1-yl)ethyl]-1-[6-(3-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide
CID 93055908
N-butyl-1-[6-(3,4-dimethylphenyl)pyridazin-3-yl]piperidine-3-carboxamide
CID 53056953
(3S)-1-[6-(4-methylphenyl)pyridazin-3-yl]-N-pentylpiperidine-3-carboxamide
CID 93055793
(3S)-N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]-1-(6-phenylpyridazin-3-yl)piperidine-3-carboxamide
CID 98746052
N-(3,4-dimethoxyphenyl)-1-[6-(3-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide
CID 53025140
(3R)-1-(6-phenylpyridazin-3-yl)-N-(3-propan-2-yloxypropyl)piperidine-3-carboxamide
CID 95065158
(3R)-N-(4-bromo-3-methylphenyl)-1-[6-(3-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide
CID 93055955
1-[6-(4-fluorophenyl)pyridazin-3-yl]-N-(2-piperidin-1-ylethyl)piperidine-3-carboxamide
CID 53004866

Frequently Asked Questions

What is the IUPAC name of 1-[6-(3-methylphenyl)pyridazin-3-yl]-N-[3-(4-methylpiperidin-1-yl)propyl]piperidine-3-carboxamide?
The IUPAC name of 1-[6-(3-methylphenyl)pyridazin-3-yl]-N-[3-(4-methylpiperidin-1-yl)propyl]piperidine-3-carboxamide (CID 53025138) is 1-[6-(3-methylphenyl)pyridazin-3-yl]-N-[3-(4-methylpiperidin-1-yl)propyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[6-(3-methylphenyl)pyridazin-3-yl]-N-[3-(4-methylpiperidin-1-yl)propyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[6-(3-methylphenyl)pyridazin-3-yl]-N-[3-(4-methylpiperidin-1-yl)propyl]piperidine-3-carboxamide is Cc1cccc(-c2ccc(N3CCCC(C(=O)NCCCN4CCC(C)CC4)C3)nn2)c1.
What is the InChIKey of 1-[6-(3-methylphenyl)pyridazin-3-yl]-N-[3-(4-methylpiperidin-1-yl)propyl]piperidine-3-carboxamide?
The InChIKey is YOIRCPFXKHAUHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37N5O/c1-20-11-16-30(17-12-20)14-5-13-27-26(32)23-8-4-15-31(19-23)25-10-9-24(28-29-25)22-7-3-6-21(2)18-22/h3,6-7,9-10,18,20,23H,4-5,8,11-17,19H2,1-2H3,(H,27,32).
What are the key properties of 1-[6-(3-methylphenyl)pyridazin-3-yl]-N-[3-(4-methylpiperidin-1-yl)propyl]piperidine-3-carboxamide?
1-[6-(3-methylphenyl)pyridazin-3-yl]-N-[3-(4-methylpiperidin-1-yl)propyl]piperidine-3-carboxamide has a molecular weight of 435.62 g/mol, XLogP of 3.91, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(3-methylphenyl)pyridazin-3-yl]-N-[3-(4-methylpiperidin-1-yl)propyl]piperidine-3-carboxamide is sourced from PubChem (CID 53025138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).