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

C20H30N6O2 — CID 53203851

IUPACN-methyl-1-(6-oxo-1H-pyridazin-4-yl)-N-[3-(1,3,5-trimethylpyrazol-4-yl)propyl]piperidine-3-carboxamide
SMILESCc1nn(C)c(C)c1CCCN(C)C(=O)C1CCCN(c2cn[nH]c(=O)c2)C1
InChIInChI=1S/C20H30N6O2/c1-14-18(15(2)25(4)23-14)8-6-9-24(3)20(28)16-7-5-10-26(13-16)17-11-19(27)22-21-12-17/h11-12,16H,5-10,13H2,1-4H3,(H,22,27)
InChIKeyBCSXRUQYWQALKJ-UHFFFAOYSA-N
MW386.50 g/mol
LogP1.43
Rot. Bonds6

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

N-methyl-1-(6-oxo-1H-pyridazin-4-yl)-N-[3-(1,3,5-trimethylpyrazol-4-yl)propyl]piperidine-3-carboxamide (PubChem CID 53203851) has the molecular formula C20H30N6O2 and a molecular weight of 386.50 g/mol. Its IUPAC name is N-methyl-1-(6-oxo-1H-pyridazin-4-yl)-N-[3-(1,3,5-trimethylpyrazol-4-yl)propyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-1-(6-oxo-1H-pyridazin-4-yl)-N-[3-(1,3,5-trimethylpyrazol-4-yl)propyl]piperidine-3-carboxamide
PubChem CID53203851
Molecular FormulaC20H30N6O2
Molecular Weight386.50 g/mol
Exact Mass386.24
IUPAC NameN-methyl-1-(6-oxo-1H-pyridazin-4-yl)-N-[3-(1,3,5-trimethylpyrazol-4-yl)propyl]piperidine-3-carboxamide
SMILESCc1nn(C)c(C)c1CCCN(C)C(=O)C1CCCN(c2cn[nH]c(=O)c2)C1
InChIInChI=1S/C20H30N6O2/c1-14-18(15(2)25(4)23-14)8-6-9-24(3)20(28)16-7-5-10-26(13-16)17-11-19(27)22-21-12-17/h11-12,16H,5-10,13H2,1-4H3,(H,22,27)
InChIKeyBCSXRUQYWQALKJ-UHFFFAOYSA-N
XLogP1.43
TPSA87.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[1-(1-Tert-butyl-5-ethylpyrazole-4-carbonyl)piperidin-4-yl]acetamide
CID 53511115
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
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-(1-methyl-6-oxopyridazin-4-yl)-N-[3-(1,3,5-trimethylpyrazol-4-yl)propyl]piperidine-3-carboxamide
CID 53203989
1-(1-benzyl-6-oxo-1,6-dihydropyridazin-4-yl)-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]piperidine-3-carboxamide
CID 53204100
N-[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-1-(6-oxo-1H-pyridazin-4-yl)piperidine-4-carboxamide
CID 96006651
(3S)-1-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]piperidine-3-carboxamide
CID 97065153
3-[7-Fluoro-2-oxo-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]indol-5-yl]piperidine-1-carboxamide
CID 175097390
3-[4-[3,5-di(propan-2-yl)pyrazol-1-yl]piperidine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one
CID 132460361
(1,3-Dimethyl-5-propan-2-ylpyrazol-4-yl)-(4-methylpiperazin-4-ium-1-yl)methanone
CID 8074450

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(6-oxo-1H-pyridazin-4-yl)-N-[3-(1,3,5-trimethylpyrazol-4-yl)propyl]piperidine-3-carboxamide?
The IUPAC name of N-methyl-1-(6-oxo-1H-pyridazin-4-yl)-N-[3-(1,3,5-trimethylpyrazol-4-yl)propyl]piperidine-3-carboxamide (CID 53203851) is N-methyl-1-(6-oxo-1H-pyridazin-4-yl)-N-[3-(1,3,5-trimethylpyrazol-4-yl)propyl]piperidine-3-carboxamide.
What is the SMILES notation for N-methyl-1-(6-oxo-1H-pyridazin-4-yl)-N-[3-(1,3,5-trimethylpyrazol-4-yl)propyl]piperidine-3-carboxamide?
The canonical SMILES for N-methyl-1-(6-oxo-1H-pyridazin-4-yl)-N-[3-(1,3,5-trimethylpyrazol-4-yl)propyl]piperidine-3-carboxamide is Cc1nn(C)c(C)c1CCCN(C)C(=O)C1CCCN(c2cn[nH]c(=O)c2)C1.
What is the InChIKey of N-methyl-1-(6-oxo-1H-pyridazin-4-yl)-N-[3-(1,3,5-trimethylpyrazol-4-yl)propyl]piperidine-3-carboxamide?
The InChIKey is BCSXRUQYWQALKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N6O2/c1-14-18(15(2)25(4)23-14)8-6-9-24(3)20(28)16-7-5-10-26(13-16)17-11-19(27)22-21-12-17/h11-12,16H,5-10,13H2,1-4H3,(H,22,27).
What are the key properties of N-methyl-1-(6-oxo-1H-pyridazin-4-yl)-N-[3-(1,3,5-trimethylpyrazol-4-yl)propyl]piperidine-3-carboxamide?
N-methyl-1-(6-oxo-1H-pyridazin-4-yl)-N-[3-(1,3,5-trimethylpyrazol-4-yl)propyl]piperidine-3-carboxamide has a molecular weight of 386.50 g/mol, XLogP of 1.43, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(6-oxo-1H-pyridazin-4-yl)-N-[3-(1,3,5-trimethylpyrazol-4-yl)propyl]piperidine-3-carboxamide is sourced from PubChem (CID 53203851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).