N-ethyl-2-[3-[6-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide

C18H21N5O3 — CID 147150407

IUPACN-ethyl-2-[3-[6-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide
SMILESCCNC(=O)Cn1nc(-c2ccc(N3CC4CC(C3)O4)nc2)ccc1=O
InChIInChI=1S/C18H21N5O3/c1-2-19-17(24)11-23-18(25)6-4-15(21-23)12-3-5-16(20-8-12)22-9-13-7-14(10-22)26-13/h3-6,8,13-14H,2,7,9-11H2,1H3,(H,19,24)
InChIKeyBTWOFKYRWRFOML-UHFFFAOYSA-N
MW355.40 g/mol
LogP0.42
Rot. Bonds5

About N-ethyl-2-[3-[6-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide

N-ethyl-2-[3-[6-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide (PubChem CID 147150407) has the molecular formula C18H21N5O3 and a molecular weight of 355.40 g/mol. Its IUPAC name is N-ethyl-2-[3-[6-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide.

Molecular Properties

Compound NameN-ethyl-2-[3-[6-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide
PubChem CID147150407
Molecular FormulaC18H21N5O3
Molecular Weight355.40 g/mol
Exact Mass355.16
IUPAC NameN-ethyl-2-[3-[6-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide
SMILESCCNC(=O)Cn1nc(-c2ccc(N3CC4CC(C3)O4)nc2)ccc1=O
InChIInChI=1S/C18H21N5O3/c1-2-19-17(24)11-23-18(25)6-4-15(21-23)12-3-5-16(20-8-12)22-9-13-7-14(10-22)26-13/h3-6,8,13-14H,2,7,9-11H2,1H3,(H,19,24)
InChIKeyBTWOFKYRWRFOML-UHFFFAOYSA-N
XLogP0.42
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[3-[6-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide?
The IUPAC name of N-ethyl-2-[3-[6-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide (CID 147150407) is N-ethyl-2-[3-[6-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide.
What is the SMILES notation for N-ethyl-2-[3-[6-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide?
The canonical SMILES for N-ethyl-2-[3-[6-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide is CCNC(=O)Cn1nc(-c2ccc(N3CC4CC(C3)O4)nc2)ccc1=O.
What is the InChIKey of N-ethyl-2-[3-[6-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide?
The InChIKey is BTWOFKYRWRFOML-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O3/c1-2-19-17(24)11-23-18(25)6-4-15(21-23)12-3-5-16(20-8-12)22-9-13-7-14(10-22)26-13/h3-6,8,13-14H,2,7,9-11H2,1H3,(H,19,24).
What are the key properties of N-ethyl-2-[3-[6-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide?
N-ethyl-2-[3-[6-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide has a molecular weight of 355.40 g/mol, XLogP of 0.42, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[3-[6-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide is sourced from PubChem (CID 147150407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).