6-methyl-2-[2-[(3R)-3-[2-(methylamino)-4-pyridinyl]piperidin-1-yl]-2-oxoethyl]pyridazin-3-one

C18H23N5O2 — CID 125027057

IUPAC6-methyl-2-[2-[(3R)-3-[2-(methylamino)-4-pyridinyl]piperidin-1-yl]-2-oxoethyl]pyridazin-3-one
SMILESCNc1cc([C@H]2CCCN(C(=O)Cn3nc(C)ccc3=O)C2)ccn1
InChIInChI=1S/C18H23N5O2/c1-13-5-6-17(24)23(21-13)12-18(25)22-9-3-4-15(11-22)14-7-8-20-16(10-14)19-2/h5-8,10,15H,3-4,9,11-12H2,1-2H3,(H,19,20)/t15-/m0/s1
InChIKeyZYEMOAVZXCBYLO-HNNXBMFYSA-N
MW341.42 g/mol
LogP1.39
Rot. Bonds4

About 6-methyl-2-[2-[(3R)-3-[2-(methylamino)-4-pyridinyl]piperidin-1-yl]-2-oxoethyl]pyridazin-3-one

6-methyl-2-[2-[(3R)-3-[2-(methylamino)-4-pyridinyl]piperidin-1-yl]-2-oxoethyl]pyridazin-3-one (PubChem CID 125027057) has the molecular formula C18H23N5O2 and a molecular weight of 341.42 g/mol. Its IUPAC name is 6-methyl-2-[2-[(3R)-3-[2-(methylamino)-4-pyridinyl]piperidin-1-yl]-2-oxoethyl]pyridazin-3-one.

Molecular Properties

Compound Name6-methyl-2-[2-[(3R)-3-[2-(methylamino)-4-pyridinyl]piperidin-1-yl]-2-oxoethyl]pyridazin-3-one
PubChem CID125027057
Molecular FormulaC18H23N5O2
Molecular Weight341.42 g/mol
Exact Mass341.19
IUPAC Name6-methyl-2-[2-[(3R)-3-[2-(methylamino)-4-pyridinyl]piperidin-1-yl]-2-oxoethyl]pyridazin-3-one
SMILESCNc1cc([C@H]2CCCN(C(=O)Cn3nc(C)ccc3=O)C2)ccn1
InChIInChI=1S/C18H23N5O2/c1-13-5-6-17(24)23(21-13)12-18(25)22-9-3-4-15(11-22)14-7-8-20-16(10-14)19-2/h5-8,10,15H,3-4,9,11-12H2,1-2H3,(H,19,20)/t15-/m0/s1
InChIKeyZYEMOAVZXCBYLO-HNNXBMFYSA-N
XLogP1.39
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-methyl-2-[2-[(3R)-3-[2-(methylamino)-4-pyridinyl]piperidin-1-yl]-2-oxoethyl]pyridazin-3-one with MolForge

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Related Compounds

5,5-dimethyl-3-[2-[(3S)-3-[2-(methylamino)-4-pyridinyl]piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
CID 124955043
6-methyl-2-[2-oxo-2-[(3R)-3-(1,3-thiazol-2-yl)piperidin-1-yl]ethyl]pyridazin-3-one
CID 124553977
2-ethoxy-1-[(3R)-3-[2-(methylamino)-4-pyridinyl]piperidin-1-yl]ethanone
CID 125022184
2-[2-(3-hydroxypiperidin-1-yl)-2-oxoethyl]-6-methylpyridazin-3-one
CID 111101960
2-[(3S)-3-[2-(methylamino)-4-pyridinyl]piperidin-1-yl]-1-morpholin-4-ylethanone
CID 124999143
6-methyl-2-[2-[3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]-2-oxoethyl]pyridazin-3-one
CID 110103740
6-methyl-2-[2-[(3S)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-oxoethyl]pyridazin-3-one
CID 95778986
[(3R)-3-[2-(methylamino)-4-pyridinyl]piperidin-1-yl]-pyridin-4-ylmethanone
CID 125007244
3-(4-fluorophenyl)-1-[(3R)-3-[2-(methylamino)-4-pyridinyl]piperidin-1-yl]propan-1-one
CID 125018293
2-[2-[(3S)-3-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-oxoethyl]-6-methylpyridazin-3-one
CID 95777903
1-[3-[2-(methylamino)-4-pyridinyl]piperidin-1-yl]-2-pyridin-3-yloxyethanone
CID 110105772
2-(3-methoxyphenyl)-1-[(3S)-3-[2-(methylamino)-4-pyridinyl]piperidin-1-yl]ethanone
CID 124991502

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[2-[(3R)-3-[2-(methylamino)-4-pyridinyl]piperidin-1-yl]-2-oxoethyl]pyridazin-3-one?
The IUPAC name of 6-methyl-2-[2-[(3R)-3-[2-(methylamino)-4-pyridinyl]piperidin-1-yl]-2-oxoethyl]pyridazin-3-one (CID 125027057) is 6-methyl-2-[2-[(3R)-3-[2-(methylamino)-4-pyridinyl]piperidin-1-yl]-2-oxoethyl]pyridazin-3-one.
What is the SMILES notation for 6-methyl-2-[2-[(3R)-3-[2-(methylamino)-4-pyridinyl]piperidin-1-yl]-2-oxoethyl]pyridazin-3-one?
The canonical SMILES for 6-methyl-2-[2-[(3R)-3-[2-(methylamino)-4-pyridinyl]piperidin-1-yl]-2-oxoethyl]pyridazin-3-one is CNc1cc([C@H]2CCCN(C(=O)Cn3nc(C)ccc3=O)C2)ccn1.
What is the InChIKey of 6-methyl-2-[2-[(3R)-3-[2-(methylamino)-4-pyridinyl]piperidin-1-yl]-2-oxoethyl]pyridazin-3-one?
The InChIKey is ZYEMOAVZXCBYLO-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H23N5O2/c1-13-5-6-17(24)23(21-13)12-18(25)22-9-3-4-15(11-22)14-7-8-20-16(10-14)19-2/h5-8,10,15H,3-4,9,11-12H2,1-2H3,(H,19,20)/t15-/m0/s1.
What are the key properties of 6-methyl-2-[2-[(3R)-3-[2-(methylamino)-4-pyridinyl]piperidin-1-yl]-2-oxoethyl]pyridazin-3-one?
6-methyl-2-[2-[(3R)-3-[2-(methylamino)-4-pyridinyl]piperidin-1-yl]-2-oxoethyl]pyridazin-3-one has a molecular weight of 341.42 g/mol, XLogP of 1.39, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[2-[(3R)-3-[2-(methylamino)-4-pyridinyl]piperidin-1-yl]-2-oxoethyl]pyridazin-3-one is sourced from PubChem (CID 125027057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).