2-[2-[(3S)-3-[(6-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]-2-oxoethyl]pyridazin-3-one

C16H18N4O3 — CID 129416555

IUPAC2-[2-[(3S)-3-[(6-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]-2-oxoethyl]pyridazin-3-one
SMILESCc1cccc(O[C@H]2CCN(C(=O)Cn3ncccc3=O)C2)n1
InChIInChI=1S/C16H18N4O3/c1-12-4-2-5-14(18-12)23-13-7-9-19(10-13)16(22)11-20-15(21)6-3-8-17-20/h2-6,8,13H,7,9-11H2,1H3/t13-/m0/s1
InChIKeyDVYQNSXZFLQRRC-ZDUSSCGKSA-N
MW314.34 g/mol
LogP0.63
Rot. Bonds4

About 2-[2-[(3S)-3-[(6-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]-2-oxoethyl]pyridazin-3-one

2-[2-[(3S)-3-[(6-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]-2-oxoethyl]pyridazin-3-one (PubChem CID 129416555) has the molecular formula C16H18N4O3 and a molecular weight of 314.34 g/mol. Its IUPAC name is 2-[2-[(3S)-3-[(6-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]-2-oxoethyl]pyridazin-3-one.

Molecular Properties

Compound Name2-[2-[(3S)-3-[(6-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]-2-oxoethyl]pyridazin-3-one
PubChem CID129416555
Molecular FormulaC16H18N4O3
Molecular Weight314.34 g/mol
Exact Mass314.14
IUPAC Name2-[2-[(3S)-3-[(6-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]-2-oxoethyl]pyridazin-3-one
SMILESCc1cccc(O[C@H]2CCN(C(=O)Cn3ncccc3=O)C2)n1
InChIInChI=1S/C16H18N4O3/c1-12-4-2-5-14(18-12)23-13-7-9-19(10-13)16(22)11-20-15(21)6-3-8-17-20/h2-6,8,13H,7,9-11H2,1H3/t13-/m0/s1
InChIKeyDVYQNSXZFLQRRC-ZDUSSCGKSA-N
XLogP0.63
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 50.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3S)-3-[(6-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]-2-oxoethyl]pyridazin-3-one?
The IUPAC name of 2-[2-[(3S)-3-[(6-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]-2-oxoethyl]pyridazin-3-one (CID 129416555) is 2-[2-[(3S)-3-[(6-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]-2-oxoethyl]pyridazin-3-one.
What is the SMILES notation for 2-[2-[(3S)-3-[(6-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]-2-oxoethyl]pyridazin-3-one?
The canonical SMILES for 2-[2-[(3S)-3-[(6-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]-2-oxoethyl]pyridazin-3-one is Cc1cccc(O[C@H]2CCN(C(=O)Cn3ncccc3=O)C2)n1.
What is the InChIKey of 2-[2-[(3S)-3-[(6-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]-2-oxoethyl]pyridazin-3-one?
The InChIKey is DVYQNSXZFLQRRC-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H18N4O3/c1-12-4-2-5-14(18-12)23-13-7-9-19(10-13)16(22)11-20-15(21)6-3-8-17-20/h2-6,8,13H,7,9-11H2,1H3/t13-/m0/s1.
What are the key properties of 2-[2-[(3S)-3-[(6-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]-2-oxoethyl]pyridazin-3-one?
2-[2-[(3S)-3-[(6-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]-2-oxoethyl]pyridazin-3-one has a molecular weight of 314.34 g/mol, XLogP of 0.63, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3S)-3-[(6-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]-2-oxoethyl]pyridazin-3-one is sourced from PubChem (CID 129416555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).