1-(6-oxo-1-propylpyridazin-4-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-4-carboxamide

C20H30N6O2 — CID 53202216

IUPAC1-(6-oxo-1-propylpyridazin-4-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-4-carboxamide
SMILESCCCn1ncc(N2CCC(C(=O)NCc3c(C)nn(C)c3C)CC2)cc1=O
InChIInChI=1S/C20H30N6O2/c1-5-8-26-19(27)11-17(12-22-26)25-9-6-16(7-10-25)20(28)21-13-18-14(2)23-24(4)15(18)3/h11-12,16H,5-10,13H2,1-4H3,(H,21,28)
InChIKeyWGQYOASANUDBHB-UHFFFAOYSA-N
MW386.50 g/mol
LogP1.54
Rot. Bonds6

About 1-(6-oxo-1-propylpyridazin-4-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-4-carboxamide

1-(6-oxo-1-propylpyridazin-4-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-4-carboxamide (PubChem CID 53202216) has the molecular formula C20H30N6O2 and a molecular weight of 386.50 g/mol. Its IUPAC name is 1-(6-oxo-1-propylpyridazin-4-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(6-oxo-1-propylpyridazin-4-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-4-carboxamide
PubChem CID53202216
Molecular FormulaC20H30N6O2
Molecular Weight386.50 g/mol
Exact Mass386.24
IUPAC Name1-(6-oxo-1-propylpyridazin-4-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-4-carboxamide
SMILESCCCn1ncc(N2CCC(C(=O)NCc3c(C)nn(C)c3C)CC2)cc1=O
InChIInChI=1S/C20H30N6O2/c1-5-8-26-19(27)11-17(12-22-26)25-9-6-16(7-10-25)20(28)21-13-18-14(2)23-24(4)15(18)3/h11-12,16H,5-10,13H2,1-4H3,(H,21,28)
InChIKeyWGQYOASANUDBHB-UHFFFAOYSA-N
XLogP1.54
TPSA85.05 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-(6-oxo-1-propylpyridazin-4-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-4-carboxamide with MolForge

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Related Compounds

N-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-(1-isobutyl-3-oxo-2-piperazinyl)acetamide
CID 16190571
5-hydroxy-N-isopropyl-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]pyrazine-2-carboxamide
CID 46998021
N-(2-(cyclohex-1-en-1-yl)ethyl)-5-methyl-1-(1-methylpiperidin-4-yl)-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide
CID 49675748
1-acetyl-N-[2-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-piperidinecarboxamide
CID 72845553
N-[(1,3-dimethyl-1H-pyrazol-5-yl)methyl]-2-(1-propyl-4-piperidinyl)acetamide
CID 72875294
6-[4-[(3,5-Dimethylpyrazol-1-yl)methyl]piperidine-1-carbonyl]-2-methylpyridazin-3-one
CID 52906717
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-1-(6-oxo-1H-pyridazin-4-yl)piperidine-4-carboxamide
CID 53202069
1-(6-oxo-1-propylpyridazin-4-yl)-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]piperidine-4-carboxamide
CID 53202217
N-[(1,3-Dimethyl-1H-pyrazol-4-YL)methyl]-N-methyl-1-(6-oxo-1-propyl-1,6-dihydro-4-pyridazinyl)-4-piperidinecarboxamide
CID 53202222
1-(6-oxo-1,6-dihydropyridazin-4-yl)-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]piperidine-3-carboxamide
CID 53203850
N-methyl-1-(6-oxo-1H-pyridazin-4-yl)-N-[3-(1,3,5-trimethylpyrazol-4-yl)propyl]piperidine-3-carboxamide
CID 53203851
N-methyl-1-(1-methyl-6-oxopyridazin-4-yl)-N-[3-(1,3,5-trimethylpyrazol-4-yl)propyl]piperidine-3-carboxamide
CID 53203989

Frequently Asked Questions

What is the IUPAC name of 1-(6-oxo-1-propylpyridazin-4-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-(6-oxo-1-propylpyridazin-4-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-4-carboxamide (CID 53202216) is 1-(6-oxo-1-propylpyridazin-4-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(6-oxo-1-propylpyridazin-4-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(6-oxo-1-propylpyridazin-4-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-4-carboxamide is CCCn1ncc(N2CCC(C(=O)NCc3c(C)nn(C)c3C)CC2)cc1=O.
What is the InChIKey of 1-(6-oxo-1-propylpyridazin-4-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-4-carboxamide?
The InChIKey is WGQYOASANUDBHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N6O2/c1-5-8-26-19(27)11-17(12-22-26)25-9-6-16(7-10-25)20(28)21-13-18-14(2)23-24(4)15(18)3/h11-12,16H,5-10,13H2,1-4H3,(H,21,28).
What are the key properties of 1-(6-oxo-1-propylpyridazin-4-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-4-carboxamide?
1-(6-oxo-1-propylpyridazin-4-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-4-carboxamide has a molecular weight of 386.50 g/mol, XLogP of 1.54, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-oxo-1-propylpyridazin-4-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 53202216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).