[3-[[6-(methylamino)pyridazin-3-yl]methyl]piperidin-1-yl]-(2-methylpyrimidin-5-yl)methanone

C17H22N6O — CID 118741492

IUPAC[3-[[6-(methylamino)pyridazin-3-yl]methyl]piperidin-1-yl]-(2-methylpyrimidin-5-yl)methanone
SMILESCNc1ccc(CC2CCCN(C(=O)c3cnc(C)nc3)C2)nn1
InChIInChI=1S/C17H22N6O/c1-12-19-9-14(10-20-12)17(24)23-7-3-4-13(11-23)8-15-5-6-16(18-2)22-21-15/h5-6,9-10,13H,3-4,7-8,11H2,1-2H3,(H,18,22)
InChIKeyMYAYOANEXIBRKJ-UHFFFAOYSA-N
MW326.40 g/mol
LogP1.71
Rot. Bonds4

About [3-[[6-(methylamino)pyridazin-3-yl]methyl]piperidin-1-yl]-(2-methylpyrimidin-5-yl)methanone

[3-[[6-(methylamino)pyridazin-3-yl]methyl]piperidin-1-yl]-(2-methylpyrimidin-5-yl)methanone (PubChem CID 118741492) has the molecular formula C17H22N6O and a molecular weight of 326.40 g/mol. Its IUPAC name is [3-[[6-(methylamino)pyridazin-3-yl]methyl]piperidin-1-yl]-(2-methylpyrimidin-5-yl)methanone.

Molecular Properties

Compound Name[3-[[6-(methylamino)pyridazin-3-yl]methyl]piperidin-1-yl]-(2-methylpyrimidin-5-yl)methanone
PubChem CID118741492
Molecular FormulaC17H22N6O
Molecular Weight326.40 g/mol
Exact Mass326.19
IUPAC Name[3-[[6-(methylamino)pyridazin-3-yl]methyl]piperidin-1-yl]-(2-methylpyrimidin-5-yl)methanone
SMILESCNc1ccc(CC2CCCN(C(=O)c3cnc(C)nc3)C2)nn1
InChIInChI=1S/C17H22N6O/c1-12-19-9-14(10-20-12)17(24)23-7-3-4-13(11-23)8-15-5-6-16(18-2)22-21-15/h5-6,9-10,13H,3-4,7-8,11H2,1-2H3,(H,18,22)
InChIKeyMYAYOANEXIBRKJ-UHFFFAOYSA-N
XLogP1.71
TPSA83.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [3-[[6-(methylamino)pyridazin-3-yl]methyl]piperidin-1-yl]-(2-methylpyrimidin-5-yl)methanone with MolForge

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Related Compounds

(3-methoxyphenyl)-[3-[[6-(methylamino)pyridazin-3-yl]methyl]piperidin-1-yl]methanone
CID 127245494
(3-methoxyphenyl)-[(3R)-3-[[6-(methylamino)pyridazin-3-yl]methyl]piperidin-1-yl]methanone
CID 124996699
(2-fluorophenyl)-[3-[[6-(methylamino)pyridazin-3-yl]methyl]piperidin-1-yl]methanone
CID 127245492
(2-methylpyrimidin-5-yl)-[(3R)-3-(quinolin-3-ylmethyl)piperidin-1-yl]methanone
CID 124961648
[3-[(6-aminopyridazin-3-yl)methyl]piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 110271658
[(3S)-3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-4-yl]methyl]piperidin-1-yl]-(2-methylpyrimidin-5-yl)methanone
CID 124988744
(2-methylpyrimidin-5-yl)-[(3S)-3-(quinolin-6-ylmethyl)piperidin-1-yl]methanone
CID 124966699
(2-cyclopropylpyrimidin-5-yl)-[(3S)-3-(pyridin-2-ylmethyl)piperidin-1-yl]methanone
CID 125026604
6-[[(3S)-1-acetylpiperidin-3-yl]methyl]pyridazine-3-carboxylic acid
CID 95804599
6-[(1-acetylpiperidin-3-yl)methyl]pyridazine-3-carboxylic acid
CID 110246143
[3-[[2-methyl-6-[(5-methyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]methyl]piperidin-1-yl]-phenylmethanone
CID 110269486
[3-[[6-(N-methylanilino)pyridazin-3-yl]methyl]piperidin-1-yl]-(6-pyrazol-1-yl-3-pyridinyl)methanone
CID 110150821

Frequently Asked Questions

What is the IUPAC name of [3-[[6-(methylamino)pyridazin-3-yl]methyl]piperidin-1-yl]-(2-methylpyrimidin-5-yl)methanone?
The IUPAC name of [3-[[6-(methylamino)pyridazin-3-yl]methyl]piperidin-1-yl]-(2-methylpyrimidin-5-yl)methanone (CID 118741492) is [3-[[6-(methylamino)pyridazin-3-yl]methyl]piperidin-1-yl]-(2-methylpyrimidin-5-yl)methanone.
What is the SMILES notation for [3-[[6-(methylamino)pyridazin-3-yl]methyl]piperidin-1-yl]-(2-methylpyrimidin-5-yl)methanone?
The canonical SMILES for [3-[[6-(methylamino)pyridazin-3-yl]methyl]piperidin-1-yl]-(2-methylpyrimidin-5-yl)methanone is CNc1ccc(CC2CCCN(C(=O)c3cnc(C)nc3)C2)nn1.
What is the InChIKey of [3-[[6-(methylamino)pyridazin-3-yl]methyl]piperidin-1-yl]-(2-methylpyrimidin-5-yl)methanone?
The InChIKey is MYAYOANEXIBRKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O/c1-12-19-9-14(10-20-12)17(24)23-7-3-4-13(11-23)8-15-5-6-16(18-2)22-21-15/h5-6,9-10,13H,3-4,7-8,11H2,1-2H3,(H,18,22).
What are the key properties of [3-[[6-(methylamino)pyridazin-3-yl]methyl]piperidin-1-yl]-(2-methylpyrimidin-5-yl)methanone?
[3-[[6-(methylamino)pyridazin-3-yl]methyl]piperidin-1-yl]-(2-methylpyrimidin-5-yl)methanone has a molecular weight of 326.40 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[6-(methylamino)pyridazin-3-yl]methyl]piperidin-1-yl]-(2-methylpyrimidin-5-yl)methanone is sourced from PubChem (CID 118741492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).