1-[6-(dimethylamino)pyridazin-3-yl]-N-[3-(3-methylpiperidin-1-yl)propyl]piperidine-4-carboxamide

C21H36N6O — CID 50771131

IUPAC1-[6-(dimethylamino)pyridazin-3-yl]-N-[3-(3-methylpiperidin-1-yl)propyl]piperidine-4-carboxamide
SMILESCC1CCCN(CCCNC(=O)C2CCN(c3ccc(N(C)C)nn3)CC2)C1
InChIInChI=1S/C21H36N6O/c1-17-6-4-12-26(16-17)13-5-11-22-21(28)18-9-14-27(15-10-18)20-8-7-19(23-24-20)25(2)3/h7-8,17-18H,4-6,9-16H2,1-3H3,(H,22,28)
InChIKeyFASHNXQKFWGFEN-UHFFFAOYSA-N
MW388.56 g/mol
LogP2.00
Rot. Bonds7

About 1-[6-(dimethylamino)pyridazin-3-yl]-N-[3-(3-methylpiperidin-1-yl)propyl]piperidine-4-carboxamide

1-[6-(dimethylamino)pyridazin-3-yl]-N-[3-(3-methylpiperidin-1-yl)propyl]piperidine-4-carboxamide (PubChem CID 50771131) has the molecular formula C21H36N6O and a molecular weight of 388.56 g/mol. Its IUPAC name is 1-[6-(dimethylamino)pyridazin-3-yl]-N-[3-(3-methylpiperidin-1-yl)propyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[6-(dimethylamino)pyridazin-3-yl]-N-[3-(3-methylpiperidin-1-yl)propyl]piperidine-4-carboxamide
PubChem CID50771131
Molecular FormulaC21H36N6O
Molecular Weight388.56 g/mol
Exact Mass388.30
IUPAC Name1-[6-(dimethylamino)pyridazin-3-yl]-N-[3-(3-methylpiperidin-1-yl)propyl]piperidine-4-carboxamide
SMILESCC1CCCN(CCCNC(=O)C2CCN(c3ccc(N(C)C)nn3)CC2)C1
InChIInChI=1S/C21H36N6O/c1-17-6-4-12-26(16-17)13-5-11-22-21(28)18-9-14-27(15-10-18)20-8-7-19(23-24-20)25(2)3/h7-8,17-18H,4-6,9-16H2,1-3H3,(H,22,28)
InChIKeyFASHNXQKFWGFEN-UHFFFAOYSA-N
XLogP2.00
TPSA64.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.56
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]-1-(6-pyrrolidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 92888526
N-(3-piperidin-1-ylpropyl)-1-(6-pyrrolidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 50771839
N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 94119856
N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 94119857
1-(benzenesulfonyl)-N-[3-(3-methylpiperidin-1-yl)propyl]piperidine-4-carboxamide
CID 133167065
1-(4-methylphenyl)sulfonyl-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]piperidine-4-carboxamide
CID 100650018
N-[2-(4-methylpiperazin-1-yl)ethyl]-1-(6-pyrrolidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 46297885
1-[6-(dimethylamino)pyridazin-3-yl]-N-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide
CID 46297913
1-(3,4-dimethylphenyl)sulfonyl-N-[3-(3-methylpiperidin-1-yl)propyl]piperidine-4-carboxamide
CID 55717991
1-(4-methoxyphenyl)sulfonyl-N-[3-(3-methylpiperidin-1-yl)propyl]piperidine-4-carboxamide
CID 133167714
N-[3-(N-methylanilino)propyl]-1-(6-piperidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 50771294
1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-[3-(3-methylpiperidin-1-yl)propyl]piperidine-3-carboxamide
CID 55718213

Frequently Asked Questions

What is the IUPAC name of 1-[6-(dimethylamino)pyridazin-3-yl]-N-[3-(3-methylpiperidin-1-yl)propyl]piperidine-4-carboxamide?
The IUPAC name of 1-[6-(dimethylamino)pyridazin-3-yl]-N-[3-(3-methylpiperidin-1-yl)propyl]piperidine-4-carboxamide (CID 50771131) is 1-[6-(dimethylamino)pyridazin-3-yl]-N-[3-(3-methylpiperidin-1-yl)propyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[6-(dimethylamino)pyridazin-3-yl]-N-[3-(3-methylpiperidin-1-yl)propyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[6-(dimethylamino)pyridazin-3-yl]-N-[3-(3-methylpiperidin-1-yl)propyl]piperidine-4-carboxamide is CC1CCCN(CCCNC(=O)C2CCN(c3ccc(N(C)C)nn3)CC2)C1.
What is the InChIKey of 1-[6-(dimethylamino)pyridazin-3-yl]-N-[3-(3-methylpiperidin-1-yl)propyl]piperidine-4-carboxamide?
The InChIKey is FASHNXQKFWGFEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H36N6O/c1-17-6-4-12-26(16-17)13-5-11-22-21(28)18-9-14-27(15-10-18)20-8-7-19(23-24-20)25(2)3/h7-8,17-18H,4-6,9-16H2,1-3H3,(H,22,28).
What are the key properties of 1-[6-(dimethylamino)pyridazin-3-yl]-N-[3-(3-methylpiperidin-1-yl)propyl]piperidine-4-carboxamide?
1-[6-(dimethylamino)pyridazin-3-yl]-N-[3-(3-methylpiperidin-1-yl)propyl]piperidine-4-carboxamide has a molecular weight of 388.56 g/mol, XLogP of 2.00, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(dimethylamino)pyridazin-3-yl]-N-[3-(3-methylpiperidin-1-yl)propyl]piperidine-4-carboxamide is sourced from PubChem (CID 50771131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).