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

C19H22N6O2 — CID 29133903

IUPACN-(2-methoxyphenyl)-1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide
SMILESCOc1ccccc1NC(=O)C1CCN(c2ccc3nnc(C)n3n2)CC1
InChIInChI=1S/C19H22N6O2/c1-13-21-22-17-7-8-18(23-25(13)17)24-11-9-14(10-12-24)19(26)20-15-5-3-4-6-16(15)27-2/h3-8,14H,9-12H2,1-2H3,(H,20,26)
InChIKeyCFOPETXZMAFACH-UHFFFAOYSA-N
MW366.43 g/mol
LogP2.30
Rot. Bonds4

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

N-(2-methoxyphenyl)-1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide (PubChem CID 29133903) has the molecular formula C19H22N6O2 and a molecular weight of 366.43 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide
PubChem CID29133903
Molecular FormulaC19H22N6O2
Molecular Weight366.43 g/mol
Exact Mass366.18
IUPAC NameN-(2-methoxyphenyl)-1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide
SMILESCOc1ccccc1NC(=O)C1CCN(c2ccc3nnc(C)n3n2)CC1
InChIInChI=1S/C19H22N6O2/c1-13-21-22-17-7-8-18(23-25(13)17)24-11-9-14(10-12-24)19(26)20-15-5-3-4-6-16(15)27-2/h3-8,14H,9-12H2,1-2H3,(H,20,26)
InChIKeyCFOPETXZMAFACH-UHFFFAOYSA-N
XLogP2.30
TPSA84.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.43
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(3S)-N-(2,4-dimethoxyphenyl)-1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-3-carboxamide
CID 39315199
(3R)-N-(2,5-dimethoxyphenyl)-1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-3-carboxamide
CID 39313049
N-(2-methoxyphenyl)-1-pyridin-4-ylpiperidine-4-carboxamide
CID 46384770
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-acetyl-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 6468496
1-[1-(5-chloro-2-pyridinyl)piperidine-4-carbonyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 39466788
1-(2-fluorophenyl)-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 17152653
N-(3-methoxyphenyl)-1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-3-carboxamide
CID 42653282
N-(furan-2-ylmethyl)-1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide
CID 29133390
1-[3-(4-chlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-[(2-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 50783184
1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 29133526
(3R)-N-(3-chloro-4-methoxyphenyl)-1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-3-carboxamide
CID 97161733

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide?
The IUPAC name of N-(2-methoxyphenyl)-1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide (CID 29133903) is N-(2-methoxyphenyl)-1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-(2-methoxyphenyl)-1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide?
The canonical SMILES for N-(2-methoxyphenyl)-1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide is COc1ccccc1NC(=O)C1CCN(c2ccc3nnc(C)n3n2)CC1.
What is the InChIKey of N-(2-methoxyphenyl)-1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide?
The InChIKey is CFOPETXZMAFACH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O2/c1-13-21-22-17-7-8-18(23-25(13)17)24-11-9-14(10-12-24)19(26)20-15-5-3-4-6-16(15)27-2/h3-8,14H,9-12H2,1-2H3,(H,20,26).
What are the key properties of N-(2-methoxyphenyl)-1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide?
N-(2-methoxyphenyl)-1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide has a molecular weight of 366.43 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide is sourced from PubChem (CID 29133903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).