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

C21H23N5O3 — CID 131945303

IUPACN-[[1-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)piperidin-4-yl]methyl]quinoline-2-carboxamide
SMILESO=C1CCC(C(=O)N2CCC(CNC(=O)c3ccc4ccccc4n3)CC2)=NN1
InChIInChI=1S/C21H23N5O3/c27-19-8-7-18(24-25-19)21(29)26-11-9-14(10-12-26)13-22-20(28)17-6-5-15-3-1-2-4-16(15)23-17/h1-6,14H,7-13H2,(H,22,28)(H,25,27)
InChIKeyGSBJLIXJLCWLHX-UHFFFAOYSA-N
MW393.45 g/mol
LogP1.47
Rot. Bonds4

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

N-[[1-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)piperidin-4-yl]methyl]quinoline-2-carboxamide (PubChem CID 131945303) has the molecular formula C21H23N5O3 and a molecular weight of 393.45 g/mol. Its IUPAC name is N-[[1-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)piperidin-4-yl]methyl]quinoline-2-carboxamide.

Molecular Properties

Compound NameN-[[1-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)piperidin-4-yl]methyl]quinoline-2-carboxamide
PubChem CID131945303
Molecular FormulaC21H23N5O3
Molecular Weight393.45 g/mol
Exact Mass393.18
IUPAC NameN-[[1-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)piperidin-4-yl]methyl]quinoline-2-carboxamide
SMILESO=C1CCC(C(=O)N2CCC(CNC(=O)c3ccc4ccccc4n3)CC2)=NN1
InChIInChI=1S/C21H23N5O3/c27-19-8-7-18(24-25-19)21(29)26-11-9-14(10-12-26)13-22-20(28)17-6-5-15-3-1-2-4-16(15)23-17/h1-6,14H,7-13H2,(H,22,28)(H,25,27)
InChIKeyGSBJLIXJLCWLHX-UHFFFAOYSA-N
XLogP1.47
TPSA103.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.45
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

3-chloro-N-[[1-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)piperidin-4-yl]methyl]thiophene-2-carboxamide
CID 131903503
N-(cyclohexylmethyl)quinoline-2-carboxamide
CID 2496984
N-[(3-aminocyclopentyl)methyl]quinoline-2-carboxamide
CID 106121586
3-methyl-N-[[1-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)piperidin-4-yl]methyl]-1-propylpyrazole-4-carboxamide
CID 131930728
N-[(3-aminocyclobutyl)methyl]quinoline-2-carboxamide
CID 66005598
N-[[4-(dimethylamino)cyclohexyl]methyl]quinoline-2-carboxamide
CID 163308171
N-[1-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)piperidin-4-yl]pyridine-2-carboxamide
CID 110821459
[4-(chloromethyl)piperidin-1-yl]-quinolin-2-ylmethanone
CID 63398231
N-[(3-aminocyclohexyl)methyl]quinoline-2-carboxamide
CID 106123559
N-[(4-hydroxycyclohexyl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 106121339
N-[[(2S)-1-cyclobutylpyrrolidin-2-yl]methyl]quinoline-2-carboxamide
CID 69308413
3-(4-benzylpiperazine-1-carbonyl)-4,5-dihydro-1H-pyridazin-6-one
CID 110757174

Frequently Asked Questions

What is the IUPAC name of N-[[1-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)piperidin-4-yl]methyl]quinoline-2-carboxamide?
The IUPAC name of N-[[1-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)piperidin-4-yl]methyl]quinoline-2-carboxamide (CID 131945303) is N-[[1-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)piperidin-4-yl]methyl]quinoline-2-carboxamide.
What is the SMILES notation for N-[[1-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)piperidin-4-yl]methyl]quinoline-2-carboxamide?
The canonical SMILES for N-[[1-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)piperidin-4-yl]methyl]quinoline-2-carboxamide is O=C1CCC(C(=O)N2CCC(CNC(=O)c3ccc4ccccc4n3)CC2)=NN1.
What is the InChIKey of N-[[1-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)piperidin-4-yl]methyl]quinoline-2-carboxamide?
The InChIKey is GSBJLIXJLCWLHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O3/c27-19-8-7-18(24-25-19)21(29)26-11-9-14(10-12-26)13-22-20(28)17-6-5-15-3-1-2-4-16(15)23-17/h1-6,14H,7-13H2,(H,22,28)(H,25,27).
What are the key properties of N-[[1-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)piperidin-4-yl]methyl]quinoline-2-carboxamide?
N-[[1-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)piperidin-4-yl]methyl]quinoline-2-carboxamide has a molecular weight of 393.45 g/mol, XLogP of 1.47, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)piperidin-4-yl]methyl]quinoline-2-carboxamide is sourced from PubChem (CID 131945303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).