3-chloro-5-[3-(6-methylpyridazin-3-yl)oxypiperidine-1-carbonyl]-1H-pyridin-2-one

C16H17ClN4O3 — CID 91627791

IUPAC3-chloro-5-[3-(6-methylpyridazin-3-yl)oxypiperidine-1-carbonyl]-1H-pyridin-2-one
SMILESCc1ccc(OC2CCCN(C(=O)c3c[nH]c(=O)c(Cl)c3)C2)nn1
InChIInChI=1S/C16H17ClN4O3/c1-10-4-5-14(20-19-10)24-12-3-2-6-21(9-12)16(23)11-7-13(17)15(22)18-8-11/h4-5,7-8,12H,2-3,6,9H2,1H3,(H,18,22)
InChIKeyLJCHXSASLIZJBP-UHFFFAOYSA-N
MW348.79 g/mol
LogP1.81
Rot. Bonds3

About 3-chloro-5-[3-(6-methylpyridazin-3-yl)oxypiperidine-1-carbonyl]-1H-pyridin-2-one

3-chloro-5-[3-(6-methylpyridazin-3-yl)oxypiperidine-1-carbonyl]-1H-pyridin-2-one (PubChem CID 91627791) has the molecular formula C16H17ClN4O3 and a molecular weight of 348.79 g/mol. Its IUPAC name is 3-chloro-5-[3-(6-methylpyridazin-3-yl)oxypiperidine-1-carbonyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name3-chloro-5-[3-(6-methylpyridazin-3-yl)oxypiperidine-1-carbonyl]-1H-pyridin-2-one
PubChem CID91627791
Molecular FormulaC16H17ClN4O3
Molecular Weight348.79 g/mol
Exact Mass348.10
IUPAC Name3-chloro-5-[3-(6-methylpyridazin-3-yl)oxypiperidine-1-carbonyl]-1H-pyridin-2-one
SMILESCc1ccc(OC2CCCN(C(=O)c3c[nH]c(=O)c(Cl)c3)C2)nn1
InChIInChI=1S/C16H17ClN4O3/c1-10-4-5-14(20-19-10)24-12-3-2-6-21(9-12)16(23)11-7-13(17)15(22)18-8-11/h4-5,7-8,12H,2-3,6,9H2,1H3,(H,18,22)
InChIKeyLJCHXSASLIZJBP-UHFFFAOYSA-N
XLogP1.81
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.79
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-[3-(6-methylpyridazin-3-yl)oxypiperidine-1-carbonyl]-1H-pyridin-2-one?
The IUPAC name of 3-chloro-5-[3-(6-methylpyridazin-3-yl)oxypiperidine-1-carbonyl]-1H-pyridin-2-one (CID 91627791) is 3-chloro-5-[3-(6-methylpyridazin-3-yl)oxypiperidine-1-carbonyl]-1H-pyridin-2-one.
What is the SMILES notation for 3-chloro-5-[3-(6-methylpyridazin-3-yl)oxypiperidine-1-carbonyl]-1H-pyridin-2-one?
The canonical SMILES for 3-chloro-5-[3-(6-methylpyridazin-3-yl)oxypiperidine-1-carbonyl]-1H-pyridin-2-one is Cc1ccc(OC2CCCN(C(=O)c3c[nH]c(=O)c(Cl)c3)C2)nn1.
What is the InChIKey of 3-chloro-5-[3-(6-methylpyridazin-3-yl)oxypiperidine-1-carbonyl]-1H-pyridin-2-one?
The InChIKey is LJCHXSASLIZJBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN4O3/c1-10-4-5-14(20-19-10)24-12-3-2-6-21(9-12)16(23)11-7-13(17)15(22)18-8-11/h4-5,7-8,12H,2-3,6,9H2,1H3,(H,18,22).
What are the key properties of 3-chloro-5-[3-(6-methylpyridazin-3-yl)oxypiperidine-1-carbonyl]-1H-pyridin-2-one?
3-chloro-5-[3-(6-methylpyridazin-3-yl)oxypiperidine-1-carbonyl]-1H-pyridin-2-one has a molecular weight of 348.79 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-[3-(6-methylpyridazin-3-yl)oxypiperidine-1-carbonyl]-1H-pyridin-2-one is sourced from PubChem (CID 91627791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).