1-(1-methyl-6-oxopyridazin-4-yl)-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide

C19H24N4O2 — CID 53202097

IUPAC1-(1-methyl-6-oxopyridazin-4-yl)-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide
SMILESCc1ccccc1CNC(=O)C1CCN(c2cnn(C)c(=O)c2)CC1
InChIInChI=1S/C19H24N4O2/c1-14-5-3-4-6-16(14)12-20-19(25)15-7-9-23(10-8-15)17-11-18(24)22(2)21-13-17/h3-6,11,13,15H,7-10,12H2,1-2H3,(H,20,25)
InChIKeyMZIYFHVYJFXXEG-UHFFFAOYSA-N
MW340.43 g/mol
LogP1.62
Rot. Bonds4

About 1-(1-methyl-6-oxopyridazin-4-yl)-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide

1-(1-methyl-6-oxopyridazin-4-yl)-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide (PubChem CID 53202097) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 1-(1-methyl-6-oxopyridazin-4-yl)-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(1-methyl-6-oxopyridazin-4-yl)-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide
PubChem CID53202097
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name1-(1-methyl-6-oxopyridazin-4-yl)-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide
SMILESCc1ccccc1CNC(=O)C1CCN(c2cnn(C)c(=O)c2)CC1
InChIInChI=1S/C19H24N4O2/c1-14-5-3-4-6-16(14)12-20-19(25)15-7-9-23(10-8-15)17-11-18(24)22(2)21-13-17/h3-6,11,13,15H,7-10,12H2,1-2H3,(H,20,25)
InChIKeyMZIYFHVYJFXXEG-UHFFFAOYSA-N
XLogP1.62
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(cyclopropanecarbonyl)-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide
CID 39730995
(3R)-1-(1-methyl-6-oxopyridazin-4-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
CID 95115555
N-[(2-methylphenyl)methyl]-1-(5-phenylpyrimidin-2-yl)piperidine-4-carboxamide
CID 53107339
1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide
CID 20892983
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-4-carboxamide
CID 95114393
N-[(2-methylphenyl)methyl]-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide
CID 53102218
N-[(2,5-difluorophenyl)methyl]-1-(6-oxo-1-propylpyridazin-4-yl)piperidine-4-carboxamide
CID 53202223
1-(1-benzyl-6-oxopyridazin-4-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-4-carboxamide
CID 53202295
(3S)-1-(1-methyl-6-oxopyridazin-4-yl)-N-[(4-pyrrolidin-1-ylphenyl)methyl]piperidine-3-carboxamide
CID 95115690
N-[(2-methylphenyl)methyl]-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
CID 46281686
N-[(2-ethoxyphenyl)methyl]-1-[(2-methylphenyl)methyl]piperidine-4-carboxamide
CID 46775726
1-(4-benzyl-3-oxoquinoxalin-2-yl)-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide
CID 30445028

Frequently Asked Questions

What is the IUPAC name of 1-(1-methyl-6-oxopyridazin-4-yl)-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-(1-methyl-6-oxopyridazin-4-yl)-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide (CID 53202097) is 1-(1-methyl-6-oxopyridazin-4-yl)-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(1-methyl-6-oxopyridazin-4-yl)-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(1-methyl-6-oxopyridazin-4-yl)-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide is Cc1ccccc1CNC(=O)C1CCN(c2cnn(C)c(=O)c2)CC1.
What is the InChIKey of 1-(1-methyl-6-oxopyridazin-4-yl)-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide?
The InChIKey is MZIYFHVYJFXXEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-14-5-3-4-6-16(14)12-20-19(25)15-7-9-23(10-8-15)17-11-18(24)22(2)21-13-17/h3-6,11,13,15H,7-10,12H2,1-2H3,(H,20,25).
What are the key properties of 1-(1-methyl-6-oxopyridazin-4-yl)-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide?
1-(1-methyl-6-oxopyridazin-4-yl)-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide has a molecular weight of 340.43 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methyl-6-oxopyridazin-4-yl)-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 53202097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).