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

C21H32N6O2 — CID 53203989

IUPACN-methyl-1-(1-methyl-6-oxopyridazin-4-yl)-N-[3-(1,3,5-trimethylpyrazol-4-yl)propyl]piperidine-3-carboxamide
SMILESCc1nn(C)c(C)c1CCCN(C)C(=O)C1CCCN(c2cnn(C)c(=O)c2)C1
InChIInChI=1S/C21H32N6O2/c1-15-19(16(2)25(4)23-15)9-7-10-24(3)21(29)17-8-6-11-27(14-17)18-12-20(28)26(5)22-13-18/h12-13,17H,6-11,14H2,1-5H3
InChIKeyHNIUISQWSFRFQZ-UHFFFAOYSA-N
MW400.53 g/mol
LogP1.44
Rot. Bonds6

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

N-methyl-1-(1-methyl-6-oxopyridazin-4-yl)-N-[3-(1,3,5-trimethylpyrazol-4-yl)propyl]piperidine-3-carboxamide (PubChem CID 53203989) has the molecular formula C21H32N6O2 and a molecular weight of 400.53 g/mol. Its IUPAC name is N-methyl-1-(1-methyl-6-oxopyridazin-4-yl)-N-[3-(1,3,5-trimethylpyrazol-4-yl)propyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-1-(1-methyl-6-oxopyridazin-4-yl)-N-[3-(1,3,5-trimethylpyrazol-4-yl)propyl]piperidine-3-carboxamide
PubChem CID53203989
Molecular FormulaC21H32N6O2
Molecular Weight400.53 g/mol
Exact Mass400.26
IUPAC NameN-methyl-1-(1-methyl-6-oxopyridazin-4-yl)-N-[3-(1,3,5-trimethylpyrazol-4-yl)propyl]piperidine-3-carboxamide
SMILESCc1nn(C)c(C)c1CCCN(C)C(=O)C1CCCN(c2cnn(C)c(=O)c2)C1
InChIInChI=1S/C21H32N6O2/c1-15-19(16(2)25(4)23-15)9-7-10-24(3)21(29)17-8-6-11-27(14-17)18-12-20(28)26(5)22-13-18/h12-13,17H,6-11,14H2,1-5H3
InChIKeyHNIUISQWSFRFQZ-UHFFFAOYSA-N
XLogP1.44
TPSA76.26 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.53
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-cycloheptyl-N-methyl-6-oxo-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-3-carboxamide
CID 24793140
1-cycloheptyl-N-isopropyl-6-oxo-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]-3-piperidinecarboxamide
CID 24793825
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-(6-oxo-1H-pyridazin-4-yl)-N-[3-(1,3,5-trimethylpyrazol-4-yl)propyl]piperidine-3-carboxamide
CID 53203851
N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-3-carboxamide
CID 53203994
1-(4-Acetylpiperazin-1-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one
CID 34840010
(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
[5-Ethyl-1-methyl-3-(2-methylpropyl)pyrazol-4-yl]-piperidin-1-ylmethanone
CID 8077786
1-ethyl-4-(3-{1-[3-(1,3,5-trimethyl-1H-pyrazol-4-yl)propanoyl]-4-piperidinyl}propanoyl)piperazine
CID 26321423

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(1-methyl-6-oxopyridazin-4-yl)-N-[3-(1,3,5-trimethylpyrazol-4-yl)propyl]piperidine-3-carboxamide?
The IUPAC name of N-methyl-1-(1-methyl-6-oxopyridazin-4-yl)-N-[3-(1,3,5-trimethylpyrazol-4-yl)propyl]piperidine-3-carboxamide (CID 53203989) is N-methyl-1-(1-methyl-6-oxopyridazin-4-yl)-N-[3-(1,3,5-trimethylpyrazol-4-yl)propyl]piperidine-3-carboxamide.
What is the SMILES notation for N-methyl-1-(1-methyl-6-oxopyridazin-4-yl)-N-[3-(1,3,5-trimethylpyrazol-4-yl)propyl]piperidine-3-carboxamide?
The canonical SMILES for N-methyl-1-(1-methyl-6-oxopyridazin-4-yl)-N-[3-(1,3,5-trimethylpyrazol-4-yl)propyl]piperidine-3-carboxamide is Cc1nn(C)c(C)c1CCCN(C)C(=O)C1CCCN(c2cnn(C)c(=O)c2)C1.
What is the InChIKey of N-methyl-1-(1-methyl-6-oxopyridazin-4-yl)-N-[3-(1,3,5-trimethylpyrazol-4-yl)propyl]piperidine-3-carboxamide?
The InChIKey is HNIUISQWSFRFQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N6O2/c1-15-19(16(2)25(4)23-15)9-7-10-24(3)21(29)17-8-6-11-27(14-17)18-12-20(28)26(5)22-13-18/h12-13,17H,6-11,14H2,1-5H3.
What are the key properties of N-methyl-1-(1-methyl-6-oxopyridazin-4-yl)-N-[3-(1,3,5-trimethylpyrazol-4-yl)propyl]piperidine-3-carboxamide?
N-methyl-1-(1-methyl-6-oxopyridazin-4-yl)-N-[3-(1,3,5-trimethylpyrazol-4-yl)propyl]piperidine-3-carboxamide has a molecular weight of 400.53 g/mol, XLogP of 1.44, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(1-methyl-6-oxopyridazin-4-yl)-N-[3-(1,3,5-trimethylpyrazol-4-yl)propyl]piperidine-3-carboxamide is sourced from PubChem (CID 53203989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).