1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide

C18H21N7O — CID 29133526

IUPAC1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
SMILESCc1nnc2ccc(N3CCC(C(=O)NCc4cccnc4)CC3)nn12
InChIInChI=1S/C18H21N7O/c1-13-21-22-16-4-5-17(23-25(13)16)24-9-6-15(7-10-24)18(26)20-12-14-3-2-8-19-11-14/h2-5,8,11,15H,6-7,9-10,12H2,1H3,(H,20,26)
InChIKeyYCLUCQYYKBTFDF-UHFFFAOYSA-N
MW351.41 g/mol
LogP1.36
Rot. Bonds4

About 1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide

1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide (PubChem CID 29133526) has the molecular formula C18H21N7O and a molecular weight of 351.41 g/mol. Its IUPAC name is 1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
PubChem CID29133526
Molecular FormulaC18H21N7O
Molecular Weight351.41 g/mol
Exact Mass351.18
IUPAC Name1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
SMILESCc1nnc2ccc(N3CCC(C(=O)NCc4cccnc4)CC3)nn12
InChIInChI=1S/C18H21N7O/c1-13-21-22-16-4-5-17(23-25(13)16)24-9-6-15(7-10-24)18(26)20-12-14-3-2-8-19-11-14/h2-5,8,11,15H,6-7,9-10,12H2,1H3,(H,20,26)
InChIKeyYCLUCQYYKBTFDF-UHFFFAOYSA-N
XLogP1.36
TPSA88.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide with MolForge

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Related Compounds

(3S)-1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 39047918
1-[3-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 50783103
N-[(4-ethoxyphenyl)methyl]-1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide
CID 46326722
N-(furan-2-ylmethyl)-1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide
CID 29133390
1-(6-phenylpyridazin-3-yl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 30866618
N-[(4-methylphenyl)methyl]-1-[3-(4-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidine-4-carboxamide
CID 50783357
N-[(4-ethoxy-3-methoxyphenyl)methyl]-1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide
CID 46326719
1-(6-anilinopyridazin-3-yl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 117084317
6-[4-(pyridin-3-ylmethylcarbamoyl)piperidin-1-yl]pyridine-2-carboxylic acid
CID 122053589
4-N-(pyridin-3-ylmethyl)piperidine-1,4-dicarboxamide
CID 71166492
1-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 133276362
3-(6-piperidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-N-(pyridin-3-ylmethyl)propanamide
CID 20903989

Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide?
The IUPAC name of 1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide (CID 29133526) is 1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide is Cc1nnc2ccc(N3CCC(C(=O)NCc4cccnc4)CC3)nn12.
What is the InChIKey of 1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide?
The InChIKey is YCLUCQYYKBTFDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N7O/c1-13-21-22-16-4-5-17(23-25(13)16)24-9-6-15(7-10-24)18(26)20-12-14-3-2-8-19-11-14/h2-5,8,11,15H,6-7,9-10,12H2,1H3,(H,20,26).
What are the key properties of 1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide?
1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide has a molecular weight of 351.41 g/mol, XLogP of 1.36, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 29133526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).