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

C19H28N6O3 — CID 131930728

IUPAC3-methyl-N-[[1-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)piperidin-4-yl]methyl]-1-propylpyrazole-4-carboxamide
SMILESCCCn1cc(C(=O)NCC2CCN(C(=O)C3=NNC(=O)CC3)CC2)c(C)n1
InChIInChI=1S/C19H28N6O3/c1-3-8-25-12-15(13(2)23-25)18(27)20-11-14-6-9-24(10-7-14)19(28)16-4-5-17(26)22-21-16/h12,14H,3-11H2,1-2H3,(H,20,27)(H,22,26)
InChIKeyRLKLFQSBFOJNHW-UHFFFAOYSA-N
MW388.47 g/mol
LogP0.84
Rot. Bonds6

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

3-methyl-N-[[1-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)piperidin-4-yl]methyl]-1-propylpyrazole-4-carboxamide (PubChem CID 131930728) has the molecular formula C19H28N6O3 and a molecular weight of 388.47 g/mol. Its IUPAC name is 3-methyl-N-[[1-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)piperidin-4-yl]methyl]-1-propylpyrazole-4-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[[1-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)piperidin-4-yl]methyl]-1-propylpyrazole-4-carboxamide
PubChem CID131930728
Molecular FormulaC19H28N6O3
Molecular Weight388.47 g/mol
Exact Mass388.22
IUPAC Name3-methyl-N-[[1-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)piperidin-4-yl]methyl]-1-propylpyrazole-4-carboxamide
SMILESCCCn1cc(C(=O)NCC2CCN(C(=O)C3=NNC(=O)CC3)CC2)c(C)n1
InChIInChI=1S/C19H28N6O3/c1-3-8-25-12-15(13(2)23-25)18(27)20-11-14-6-9-24(10-7-14)19(28)16-4-5-17(26)22-21-16/h12,14H,3-11H2,1-2H3,(H,20,27)(H,22,26)
InChIKeyRLKLFQSBFOJNHW-UHFFFAOYSA-N
XLogP0.84
TPSA108.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Launch Full Analysis

Related Compounds

N-[[1-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)piperidin-4-yl]methyl]quinoline-2-carboxamide
CID 131945303
3-chloro-N-[[1-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)piperidin-4-yl]methyl]thiophene-2-carboxamide
CID 131903503
3-[4-(hydroxymethyl)piperidine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one
CID 43582931
1,3-dimethyl-N-(piperidin-4-ylmethyl)pyrazole-4-carboxamide
CID 103805401
methyl 3-[4-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)piperazin-1-yl]propanoate
CID 78985372
N-[(4-hydroxycyclohexyl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 106121339
N-[[(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-3-methyl-1-propylpyrazole-4-carboxamide
CID 97208608
(3-methyl-1-propylpyrazol-4-yl)-(4-phenylmethoxypiperidin-1-yl)methanone
CID 70752342
N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-3-methyl-1-propylpyrazole-4-carboxamide
CID 131916562
3-(pyrrolidine-1-carbonyl)-4,5-dihydro-1H-pyridazin-6-one
CID 43397830
(3aS,6aS)-5-(3-methyl-1-propylpyrazole-4-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-2-one
CID 146044186
(3-methyl-1-propylpyrazol-4-yl)-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)piperidin-1-yl]methanone
CID 72921188

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[[1-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)piperidin-4-yl]methyl]-1-propylpyrazole-4-carboxamide?
The IUPAC name of 3-methyl-N-[[1-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)piperidin-4-yl]methyl]-1-propylpyrazole-4-carboxamide (CID 131930728) is 3-methyl-N-[[1-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)piperidin-4-yl]methyl]-1-propylpyrazole-4-carboxamide.
What is the SMILES notation for 3-methyl-N-[[1-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)piperidin-4-yl]methyl]-1-propylpyrazole-4-carboxamide?
The canonical SMILES for 3-methyl-N-[[1-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)piperidin-4-yl]methyl]-1-propylpyrazole-4-carboxamide is CCCn1cc(C(=O)NCC2CCN(C(=O)C3=NNC(=O)CC3)CC2)c(C)n1.
What is the InChIKey of 3-methyl-N-[[1-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)piperidin-4-yl]methyl]-1-propylpyrazole-4-carboxamide?
The InChIKey is RLKLFQSBFOJNHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N6O3/c1-3-8-25-12-15(13(2)23-25)18(27)20-11-14-6-9-24(10-7-14)19(28)16-4-5-17(26)22-21-16/h12,14H,3-11H2,1-2H3,(H,20,27)(H,22,26).
What are the key properties of 3-methyl-N-[[1-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)piperidin-4-yl]methyl]-1-propylpyrazole-4-carboxamide?
3-methyl-N-[[1-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)piperidin-4-yl]methyl]-1-propylpyrazole-4-carboxamide has a molecular weight of 388.47 g/mol, XLogP of 0.84, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[[1-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)piperidin-4-yl]methyl]-1-propylpyrazole-4-carboxamide is sourced from PubChem (CID 131930728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).