(6-ethoxy-3-pyridinyl)-(3-pyridazin-3-yloxypyrrolidin-1-yl)methanone

C16H18N4O3 — CID 90638410

IUPAC(6-ethoxy-3-pyridinyl)-(3-pyridazin-3-yloxypyrrolidin-1-yl)methanone
SMILESCCOc1ccc(C(=O)N2CCC(Oc3cccnn3)C2)cn1
InChIInChI=1S/C16H18N4O3/c1-2-22-14-6-5-12(10-17-14)16(21)20-9-7-13(11-20)23-15-4-3-8-18-19-15/h3-6,8,10,13H,2,7,9,11H2,1H3
InChIKeyLAJVSICQQLQYPU-UHFFFAOYSA-N
MW314.35 g/mol
LogP1.56
Rot. Bonds5

About (6-ethoxy-3-pyridinyl)-(3-pyridazin-3-yloxypyrrolidin-1-yl)methanone

(6-ethoxy-3-pyridinyl)-(3-pyridazin-3-yloxypyrrolidin-1-yl)methanone (PubChem CID 90638410) has the molecular formula C16H18N4O3 and a molecular weight of 314.35 g/mol. Its IUPAC name is (6-ethoxy-3-pyridinyl)-(3-pyridazin-3-yloxypyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(6-ethoxy-3-pyridinyl)-(3-pyridazin-3-yloxypyrrolidin-1-yl)methanone
PubChem CID90638410
Molecular FormulaC16H18N4O3
Molecular Weight314.35 g/mol
Exact Mass314.14
IUPAC Name(6-ethoxy-3-pyridinyl)-(3-pyridazin-3-yloxypyrrolidin-1-yl)methanone
SMILESCCOc1ccc(C(=O)N2CCC(Oc3cccnn3)C2)cn1
InChIInChI=1S/C16H18N4O3/c1-2-22-14-6-5-12(10-17-14)16(21)20-9-7-13(11-20)23-15-4-3-8-18-19-15/h3-6,8,10,13H,2,7,9,11H2,1H3
InChIKeyLAJVSICQQLQYPU-UHFFFAOYSA-N
XLogP1.56
TPSA77.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(4-butoxyphenyl)-(3-pyridazin-3-yloxypyrrolidin-1-yl)methanone
CID 90638234
(4-phenylphenyl)-(3-pyridazin-3-yloxypyrrolidin-1-yl)methanone
CID 90638273
(5-methylpyrazin-2-yl)-[(3R)-3-pyridazin-3-yloxypyrrolidin-1-yl]methanone
CID 100623677
(5-methylpyrazin-2-yl)-(3-pyridazin-3-yloxypyrrolidin-1-yl)methanone
CID 91627264
1-(3-pyridazin-3-yloxypyrrolidin-1-yl)ethanone
CID 90638196
N,N-dimethyl-4-(3-pyridazin-3-yloxypyrrolidine-1-carbonyl)benzenesulfonamide
CID 90638303
(4-methylphenyl)-[(3S)-3-pyridazin-3-yloxypiperidin-1-yl]methanone
CID 100638429
(2-methyl-1,3-thiazol-4-yl)-[(3R)-3-pyridazin-3-yloxypyrrolidin-1-yl]methanone
CID 100620419
(4-pyridazin-3-yloxypiperidin-1-yl)-pyridin-4-ylmethanone
CID 90559340
(3-pyridazin-3-yloxypyrrolidin-1-yl)-(1H-1,2,4-triazol-5-yl)methanone
CID 90638405
4-chloro-1-(3-pyridazin-3-yloxypyrrolidin-1-yl)butan-1-one
CID 90638218
(3-pyridazin-3-yloxypyrrolidin-1-yl)-thiophen-2-ylmethanone
CID 91627208

Frequently Asked Questions

What is the IUPAC name of (6-ethoxy-3-pyridinyl)-(3-pyridazin-3-yloxypyrrolidin-1-yl)methanone?
The IUPAC name of (6-ethoxy-3-pyridinyl)-(3-pyridazin-3-yloxypyrrolidin-1-yl)methanone (CID 90638410) is (6-ethoxy-3-pyridinyl)-(3-pyridazin-3-yloxypyrrolidin-1-yl)methanone.
What is the SMILES notation for (6-ethoxy-3-pyridinyl)-(3-pyridazin-3-yloxypyrrolidin-1-yl)methanone?
The canonical SMILES for (6-ethoxy-3-pyridinyl)-(3-pyridazin-3-yloxypyrrolidin-1-yl)methanone is CCOc1ccc(C(=O)N2CCC(Oc3cccnn3)C2)cn1.
What is the InChIKey of (6-ethoxy-3-pyridinyl)-(3-pyridazin-3-yloxypyrrolidin-1-yl)methanone?
The InChIKey is LAJVSICQQLQYPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O3/c1-2-22-14-6-5-12(10-17-14)16(21)20-9-7-13(11-20)23-15-4-3-8-18-19-15/h3-6,8,10,13H,2,7,9,11H2,1H3.
What are the key properties of (6-ethoxy-3-pyridinyl)-(3-pyridazin-3-yloxypyrrolidin-1-yl)methanone?
(6-ethoxy-3-pyridinyl)-(3-pyridazin-3-yloxypyrrolidin-1-yl)methanone has a molecular weight of 314.35 g/mol, XLogP of 1.56, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6-ethoxy-3-pyridinyl)-(3-pyridazin-3-yloxypyrrolidin-1-yl)methanone is sourced from PubChem (CID 90638410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).