N-[1-(1-benzyl-6-oxopyridazin-4-yl)piperidin-4-yl]-3-methylthiophene-2-carboxamide

C22H24N4O2S — CID 91911806

IUPACN-[1-(1-benzyl-6-oxopyridazin-4-yl)piperidin-4-yl]-3-methylthiophene-2-carboxamide
SMILESCc1ccsc1C(=O)NC1CCN(c2cnn(Cc3ccccc3)c(=O)c2)CC1
InChIInChI=1S/C22H24N4O2S/c1-16-9-12-29-21(16)22(28)24-18-7-10-25(11-8-18)19-13-20(27)26(23-14-19)15-17-5-3-2-4-6-17/h2-6,9,12-14,18H,7-8,10-11,15H2,1H3,(H,24,28)
InChIKeyLVMPZDLNFWTIKW-UHFFFAOYSA-N
MW408.53 g/mol
LogP3.06
Rot. Bonds5

About N-[1-(1-benzyl-6-oxopyridazin-4-yl)piperidin-4-yl]-3-methylthiophene-2-carboxamide

N-[1-(1-benzyl-6-oxopyridazin-4-yl)piperidin-4-yl]-3-methylthiophene-2-carboxamide (PubChem CID 91911806) has the molecular formula C22H24N4O2S and a molecular weight of 408.53 g/mol. Its IUPAC name is N-[1-(1-benzyl-6-oxopyridazin-4-yl)piperidin-4-yl]-3-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-(1-benzyl-6-oxopyridazin-4-yl)piperidin-4-yl]-3-methylthiophene-2-carboxamide
PubChem CID91911806
Molecular FormulaC22H24N4O2S
Molecular Weight408.53 g/mol
Exact Mass408.16
IUPAC NameN-[1-(1-benzyl-6-oxopyridazin-4-yl)piperidin-4-yl]-3-methylthiophene-2-carboxamide
SMILESCc1ccsc1C(=O)NC1CCN(c2cnn(Cc3ccccc3)c(=O)c2)CC1
InChIInChI=1S/C22H24N4O2S/c1-16-9-12-29-21(16)22(28)24-18-7-10-25(11-8-18)19-13-20(27)26(23-14-19)15-17-5-3-2-4-6-17/h2-6,9,12-14,18H,7-8,10-11,15H2,1H3,(H,24,28)
InChIKeyLVMPZDLNFWTIKW-UHFFFAOYSA-N
XLogP3.06
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.53
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(1-benzyl-6-oxopyridazin-4-yl)piperidin-4-yl]-2-methylpropanamide
CID 91911804
1-(1-benzyl-6-oxopyridazin-4-yl)-N-cyclohexylpiperidine-4-carboxamide
CID 53202291
1-(1-benzyl-6-oxopyridazin-4-yl)-N-(2-methoxyethyl)piperidine-4-carboxamide
CID 53202272
1-(1-benzyl-6-oxopyridazin-4-yl)pyrrolidine-3-carboxylic acid
CID 122048542
5-[4-(azepane-1-carbonyl)piperidin-1-yl]-2-benzylpyridazin-3-one
CID 53202307
1-(1-benzyl-6-oxopyridazin-4-yl)-N-[(1R)-1-phenylethyl]piperidine-4-carboxamide
CID 95114431
1-(1-benzyl-6-oxopyridazin-4-yl)-N-[(1S)-1-phenylethyl]piperidine-4-carboxamide
CID 95114430
1-(1-benzyl-6-oxopyridazin-4-yl)-N-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 53202280
1-(1-benzyl-6-oxopyridazin-4-yl)-N-[(3-chlorophenyl)methyl]piperidine-4-carboxamide
CID 53202309
3-methyl-N-(1-methylpiperidin-4-yl)thiophene-2-carboxamide
CID 47114392
1-(1-benzyl-6-oxopyridazin-4-yl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 53202240
1-(1-benzyl-6-oxopyridazin-4-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-4-carboxamide
CID 53202295

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-benzyl-6-oxopyridazin-4-yl)piperidin-4-yl]-3-methylthiophene-2-carboxamide?
The IUPAC name of N-[1-(1-benzyl-6-oxopyridazin-4-yl)piperidin-4-yl]-3-methylthiophene-2-carboxamide (CID 91911806) is N-[1-(1-benzyl-6-oxopyridazin-4-yl)piperidin-4-yl]-3-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[1-(1-benzyl-6-oxopyridazin-4-yl)piperidin-4-yl]-3-methylthiophene-2-carboxamide?
The canonical SMILES for N-[1-(1-benzyl-6-oxopyridazin-4-yl)piperidin-4-yl]-3-methylthiophene-2-carboxamide is Cc1ccsc1C(=O)NC1CCN(c2cnn(Cc3ccccc3)c(=O)c2)CC1.
What is the InChIKey of N-[1-(1-benzyl-6-oxopyridazin-4-yl)piperidin-4-yl]-3-methylthiophene-2-carboxamide?
The InChIKey is LVMPZDLNFWTIKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2S/c1-16-9-12-29-21(16)22(28)24-18-7-10-25(11-8-18)19-13-20(27)26(23-14-19)15-17-5-3-2-4-6-17/h2-6,9,12-14,18H,7-8,10-11,15H2,1H3,(H,24,28).
What are the key properties of N-[1-(1-benzyl-6-oxopyridazin-4-yl)piperidin-4-yl]-3-methylthiophene-2-carboxamide?
N-[1-(1-benzyl-6-oxopyridazin-4-yl)piperidin-4-yl]-3-methylthiophene-2-carboxamide has a molecular weight of 408.53 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-benzyl-6-oxopyridazin-4-yl)piperidin-4-yl]-3-methylthiophene-2-carboxamide is sourced from PubChem (CID 91911806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).