N-[2-[benzyl(ethyl)amino]ethyl]-1-[6-(3-methylphenyl)pyridazin-3-yl]piperidine-4-carboxamide

C28H35N5O — CID 53025223

IUPACN-[2-[benzyl(ethyl)amino]ethyl]-1-[6-(3-methylphenyl)pyridazin-3-yl]piperidine-4-carboxamide
SMILESCCN(CCNC(=O)C1CCN(c2ccc(-c3cccc(C)c3)nn2)CC1)Cc1ccccc1
InChIInChI=1S/C28H35N5O/c1-3-32(21-23-9-5-4-6-10-23)19-16-29-28(34)24-14-17-33(18-15-24)27-13-12-26(30-31-27)25-11-7-8-22(2)20-25/h4-13,20,24H,3,14-19,21H2,1-2H3,(H,29,34)
InChIKeyUVTYBUPCWBGCQU-UHFFFAOYSA-N
MW457.62 g/mol
LogP4.31
Rot. Bonds9

About N-[2-[benzyl(ethyl)amino]ethyl]-1-[6-(3-methylphenyl)pyridazin-3-yl]piperidine-4-carboxamide

N-[2-[benzyl(ethyl)amino]ethyl]-1-[6-(3-methylphenyl)pyridazin-3-yl]piperidine-4-carboxamide (PubChem CID 53025223) has the molecular formula C28H35N5O and a molecular weight of 457.62 g/mol. Its IUPAC name is N-[2-[benzyl(ethyl)amino]ethyl]-1-[6-(3-methylphenyl)pyridazin-3-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-[benzyl(ethyl)amino]ethyl]-1-[6-(3-methylphenyl)pyridazin-3-yl]piperidine-4-carboxamide
PubChem CID53025223
Molecular FormulaC28H35N5O
Molecular Weight457.62 g/mol
Exact Mass457.28
IUPAC NameN-[2-[benzyl(ethyl)amino]ethyl]-1-[6-(3-methylphenyl)pyridazin-3-yl]piperidine-4-carboxamide
SMILESCCN(CCNC(=O)C1CCN(c2ccc(-c3cccc(C)c3)nn2)CC1)Cc1ccccc1
InChIInChI=1S/C28H35N5O/c1-3-32(21-23-9-5-4-6-10-23)19-16-29-28(34)24-14-17-33(18-15-24)27-13-12-26(30-31-27)25-11-7-8-22(2)20-25/h4-13,20,24H,3,14-19,21H2,1-2H3,(H,29,34)
InChIKeyUVTYBUPCWBGCQU-UHFFFAOYSA-N
XLogP4.31
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.62
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[benzyl(ethyl)amino]propyl]-1-(6-phenylpyridazin-3-yl)piperidine-4-carboxamide
CID 53025177
N-[(3-methylphenyl)methyl]-1-[6-(3-methylphenyl)pyridazin-3-yl]piperidine-4-carboxamide
CID 53025243
N-butan-2-yl-1-[6-(3-methylphenyl)pyridazin-3-yl]piperidine-4-carboxamide
CID 53025183
N-[2-[benzyl(ethyl)amino]ethyl]-4-(6-pyrrolidin-1-ylpyridazin-3-yl)benzamide
CID 53098736
N-[2-[benzyl(methyl)amino]ethyl]-1-(6-piperidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 50772057
(3R)-N-butyl-1-[6-(3-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide
CID 93055886
N-[2-(diethylamino)ethyl]-1-[5-(3-methylphenyl)pyrimidin-2-yl]piperidine-4-carboxamide
CID 53107274
N-benzyl-1-[6-(3-fluorophenyl)pyridazin-3-yl]piperidine-4-carboxamide
CID 53025374
N-[2-(diethylamino)ethyl]-1-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide
CID 50783320
1-[6-(3-methylphenyl)pyrimidin-4-yl]-N-(3-phenylpropyl)piperidine-4-carboxamide
CID 53062120
N-[(1R)-1-(4-methylphenyl)ethyl]-1-[6-(3-methylphenyl)pyridazin-3-yl]piperidine-4-carboxamide
CID 93056018
(3S)-N-[(4-methylphenyl)methyl]-1-[6-(3-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide
CID 93056001

Frequently Asked Questions

What is the IUPAC name of N-[2-[benzyl(ethyl)amino]ethyl]-1-[6-(3-methylphenyl)pyridazin-3-yl]piperidine-4-carboxamide?
The IUPAC name of N-[2-[benzyl(ethyl)amino]ethyl]-1-[6-(3-methylphenyl)pyridazin-3-yl]piperidine-4-carboxamide (CID 53025223) is N-[2-[benzyl(ethyl)amino]ethyl]-1-[6-(3-methylphenyl)pyridazin-3-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-[2-[benzyl(ethyl)amino]ethyl]-1-[6-(3-methylphenyl)pyridazin-3-yl]piperidine-4-carboxamide?
The canonical SMILES for N-[2-[benzyl(ethyl)amino]ethyl]-1-[6-(3-methylphenyl)pyridazin-3-yl]piperidine-4-carboxamide is CCN(CCNC(=O)C1CCN(c2ccc(-c3cccc(C)c3)nn2)CC1)Cc1ccccc1.
What is the InChIKey of N-[2-[benzyl(ethyl)amino]ethyl]-1-[6-(3-methylphenyl)pyridazin-3-yl]piperidine-4-carboxamide?
The InChIKey is UVTYBUPCWBGCQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35N5O/c1-3-32(21-23-9-5-4-6-10-23)19-16-29-28(34)24-14-17-33(18-15-24)27-13-12-26(30-31-27)25-11-7-8-22(2)20-25/h4-13,20,24H,3,14-19,21H2,1-2H3,(H,29,34).
What are the key properties of N-[2-[benzyl(ethyl)amino]ethyl]-1-[6-(3-methylphenyl)pyridazin-3-yl]piperidine-4-carboxamide?
N-[2-[benzyl(ethyl)amino]ethyl]-1-[6-(3-methylphenyl)pyridazin-3-yl]piperidine-4-carboxamide has a molecular weight of 457.62 g/mol, XLogP of 4.31, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[benzyl(ethyl)amino]ethyl]-1-[6-(3-methylphenyl)pyridazin-3-yl]piperidine-4-carboxamide is sourced from PubChem (CID 53025223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).