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

C20H30N6O2 — CID 53202222

IUPACN-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-1-(6-oxo-1-propylpyridazin-4-yl)piperidine-4-carboxamide
SMILESCCCn1ncc(N2CCC(C(=O)N(C)Cc3cn(C)nc3C)CC2)cc1=O
InChIInChI=1S/C20H30N6O2/c1-5-8-26-19(27)11-18(12-21-26)25-9-6-16(7-10-25)20(28)23(3)13-17-14-24(4)22-15(17)2/h11-12,14,16H,5-10,13H2,1-4H3
InChIKeyBYLZBCUQCQRZQS-UHFFFAOYSA-N
MW386.50 g/mol
LogP1.57
Rot. Bonds6

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

N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-1-(6-oxo-1-propylpyridazin-4-yl)piperidine-4-carboxamide (PubChem CID 53202222) has the molecular formula C20H30N6O2 and a molecular weight of 386.50 g/mol. Its IUPAC name is N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-1-(6-oxo-1-propylpyridazin-4-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-1-(6-oxo-1-propylpyridazin-4-yl)piperidine-4-carboxamide
PubChem CID53202222
Molecular FormulaC20H30N6O2
Molecular Weight386.50 g/mol
Exact Mass386.24
IUPAC NameN-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-1-(6-oxo-1-propylpyridazin-4-yl)piperidine-4-carboxamide
SMILESCCCn1ncc(N2CCC(C(=O)N(C)Cc3cn(C)nc3C)CC2)cc1=O
InChIInChI=1S/C20H30N6O2/c1-5-8-26-19(27)11-18(12-21-26)25-9-6-16(7-10-25)20(28)23(3)13-17-14-24(4)22-15(17)2/h11-12,14,16H,5-10,13H2,1-4H3
InChIKeyBYLZBCUQCQRZQS-UHFFFAOYSA-N
XLogP1.57
TPSA76.26 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

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Related Compounds

1'-[(5-methyl-1-propyl-1H-pyrazol-4-yl)carbonyl]-1,4'-bipiperidine
CID 72843662
N,1,3-trimethyl-N-(1-methylpiperidin-4-yl)pyrazole-4-carboxamide
CID 42352823
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-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-4-carboxamide
CID 53202216
1-(6-oxo-1-propylpyridazin-4-yl)-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]piperidine-4-carboxamide
CID 53202217
N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-3-carboxamide
CID 53203994
1-[(3-methyl-1-propyl-1H-pyrazol-4-yl)carbonyl]-3-piperidinecarbonitrile
CID 72939176
N-[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-1-(6-oxo-1H-pyridazin-4-yl)piperidine-4-carboxamide
CID 96006651
1,5-dimethyl-N-{[1-(3-methylbut-2-en-1-yl)piperidin-4-yl]methyl}-1H-pyrazole-4-carboxamide
CID 131901108
N-[(3S)-1-(1-ethyl-3-methylpyrazole-4-carbonyl)piperidin-3-yl]-2-methyl-N-(3-pyrrolidin-1-ylpropyl)propanamide
CID 164630818
1-[(3S,4S)-4-(4,5-dimethylpyrazol-1-yl)-3-fluoropiperidin-1-yl]-2-methylpropan-1-one
CID 162486534
N-butyl-N-methyl-1-[1-propan-2-yl-5-(trifluoromethyl)pyrazole-4-carbonyl]piperidine-4-carboxamide
CID 56313223

Frequently Asked Questions

What is the IUPAC name of N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-1-(6-oxo-1-propylpyridazin-4-yl)piperidine-4-carboxamide?
The IUPAC name of N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-1-(6-oxo-1-propylpyridazin-4-yl)piperidine-4-carboxamide (CID 53202222) is N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-1-(6-oxo-1-propylpyridazin-4-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-1-(6-oxo-1-propylpyridazin-4-yl)piperidine-4-carboxamide?
The canonical SMILES for N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-1-(6-oxo-1-propylpyridazin-4-yl)piperidine-4-carboxamide is CCCn1ncc(N2CCC(C(=O)N(C)Cc3cn(C)nc3C)CC2)cc1=O.
What is the InChIKey of N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-1-(6-oxo-1-propylpyridazin-4-yl)piperidine-4-carboxamide?
The InChIKey is BYLZBCUQCQRZQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N6O2/c1-5-8-26-19(27)11-18(12-21-26)25-9-6-16(7-10-25)20(28)23(3)13-17-14-24(4)22-15(17)2/h11-12,14,16H,5-10,13H2,1-4H3.
What are the key properties of N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-1-(6-oxo-1-propylpyridazin-4-yl)piperidine-4-carboxamide?
N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-1-(6-oxo-1-propylpyridazin-4-yl)piperidine-4-carboxamide has a molecular weight of 386.50 g/mol, XLogP of 1.57, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-1-(6-oxo-1-propylpyridazin-4-yl)piperidine-4-carboxamide is sourced from PubChem (CID 53202222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).