3-chloro-N-[[1-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)piperidin-4-yl]methyl]thiophene-2-carboxamide

C16H19ClN4O3S — CID 131903503

IUPAC3-chloro-N-[[1-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)piperidin-4-yl]methyl]thiophene-2-carboxamide
SMILESO=C1CCC(C(=O)N2CCC(CNC(=O)c3sccc3Cl)CC2)=NN1
InChIInChI=1S/C16H19ClN4O3S/c17-11-5-8-25-14(11)15(23)18-9-10-3-6-21(7-4-10)16(24)12-1-2-13(22)20-19-12/h5,8,10H,1-4,6-7,9H2,(H,18,23)(H,20,22)
InChIKeyIKNHURDLOBFMNB-UHFFFAOYSA-N
MW382.87 g/mol
LogP1.64
Rot. Bonds4

About 3-chloro-N-[[1-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)piperidin-4-yl]methyl]thiophene-2-carboxamide

3-chloro-N-[[1-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)piperidin-4-yl]methyl]thiophene-2-carboxamide (PubChem CID 131903503) has the molecular formula C16H19ClN4O3S and a molecular weight of 382.87 g/mol. Its IUPAC name is 3-chloro-N-[[1-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)piperidin-4-yl]methyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-[[1-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)piperidin-4-yl]methyl]thiophene-2-carboxamide
PubChem CID131903503
Molecular FormulaC16H19ClN4O3S
Molecular Weight382.87 g/mol
Exact Mass382.09
IUPAC Name3-chloro-N-[[1-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)piperidin-4-yl]methyl]thiophene-2-carboxamide
SMILESO=C1CCC(C(=O)N2CCC(CNC(=O)c3sccc3Cl)CC2)=NN1
InChIInChI=1S/C16H19ClN4O3S/c17-11-5-8-25-14(11)15(23)18-9-10-3-6-21(7-4-10)16(24)12-1-2-13(22)20-19-12/h5,8,10H,1-4,6-7,9H2,(H,18,23)(H,20,22)
InChIKeyIKNHURDLOBFMNB-UHFFFAOYSA-N
XLogP1.64
TPSA90.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.87
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-chloro-N-[[1-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)piperidin-4-yl]methyl]thiophene-2-carboxamide with MolForge

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Related Compounds

N-[[1-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)piperidin-4-yl]methyl]quinoline-2-carboxamide
CID 131945303
3-methyl-N-[[1-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)piperidin-4-yl]methyl]-1-propylpyrazole-4-carboxamide
CID 131930728
N-[(4-hydroxycyclohexyl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 106121339
N-[1-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)piperidin-4-yl]pyridine-2-carboxamide
CID 110821459
N-[(3-bromocyclohexyl)methyl]-3-chlorothiophene-2-carboxamide
CID 106133249
N-[(2-bromocyclopentyl)methyl]-3-chlorothiophene-2-carboxamide
CID 114313867
3-chloro-N-[[(2S)-1,4-dimethylpiperazin-2-yl]methyl]thiophene-2-carboxamide
CID 129486680
N-[[1-(3-bromothiophene-2-carbonyl)piperidin-4-yl]methyl]acetamide
CID 113223577
N-methyl-N-[(1R)-1-[1-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)piperidin-4-yl]-2-phenylethyl]thiophene-2-carboxamide
CID 26347713
N-[1-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)piperidin-4-yl]furan-2-carboxamide
CID 110821472
[3-(chloromethyl)pyrrolidin-1-yl]-(3-chlorothiophen-2-yl)methanone
CID 80641541
3-(4-benzylpiperazine-1-carbonyl)-4,5-dihydro-1H-pyridazin-6-one
CID 110757174

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[[1-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)piperidin-4-yl]methyl]thiophene-2-carboxamide?
The IUPAC name of 3-chloro-N-[[1-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)piperidin-4-yl]methyl]thiophene-2-carboxamide (CID 131903503) is 3-chloro-N-[[1-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)piperidin-4-yl]methyl]thiophene-2-carboxamide.
What is the SMILES notation for 3-chloro-N-[[1-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)piperidin-4-yl]methyl]thiophene-2-carboxamide?
The canonical SMILES for 3-chloro-N-[[1-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)piperidin-4-yl]methyl]thiophene-2-carboxamide is O=C1CCC(C(=O)N2CCC(CNC(=O)c3sccc3Cl)CC2)=NN1.
What is the InChIKey of 3-chloro-N-[[1-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)piperidin-4-yl]methyl]thiophene-2-carboxamide?
The InChIKey is IKNHURDLOBFMNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN4O3S/c17-11-5-8-25-14(11)15(23)18-9-10-3-6-21(7-4-10)16(24)12-1-2-13(22)20-19-12/h5,8,10H,1-4,6-7,9H2,(H,18,23)(H,20,22).
What are the key properties of 3-chloro-N-[[1-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)piperidin-4-yl]methyl]thiophene-2-carboxamide?
3-chloro-N-[[1-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)piperidin-4-yl]methyl]thiophene-2-carboxamide has a molecular weight of 382.87 g/mol, XLogP of 1.64, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[[1-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)piperidin-4-yl]methyl]thiophene-2-carboxamide is sourced from PubChem (CID 131903503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).