N-ethyl-2-(5-oxo-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-8-yl)-N-propan-2-ylacetamide

C14H22N4O2 — CID 59751921

IUPACN-ethyl-2-(5-oxo-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-8-yl)-N-propan-2-ylacetamide
SMILESCCN(C(=O)Cc1n[nH]c(=O)c2c1NCCC2)C(C)C
InChIInChI=1S/C14H22N4O2/c1-4-18(9(2)3)12(19)8-11-13-10(6-5-7-15-13)14(20)17-16-11/h9,15H,4-8H2,1-3H3,(H,17,20)
InChIKeyUVNBLHBBYLZOOH-UHFFFAOYSA-N
MW278.36 g/mol
LogP0.93
Rot. Bonds4

About N-ethyl-2-(5-oxo-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-8-yl)-N-propan-2-ylacetamide

N-ethyl-2-(5-oxo-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-8-yl)-N-propan-2-ylacetamide (PubChem CID 59751921) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is N-ethyl-2-(5-oxo-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-8-yl)-N-propan-2-ylacetamide.

Molecular Properties

Compound NameN-ethyl-2-(5-oxo-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-8-yl)-N-propan-2-ylacetamide
PubChem CID59751921
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC NameN-ethyl-2-(5-oxo-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-8-yl)-N-propan-2-ylacetamide
SMILESCCN(C(=O)Cc1n[nH]c(=O)c2c1NCCC2)C(C)C
InChIInChI=1S/C14H22N4O2/c1-4-18(9(2)3)12(19)8-11-13-10(6-5-7-15-13)14(20)17-16-11/h9,15H,4-8H2,1-3H3,(H,17,20)
InChIKeyUVNBLHBBYLZOOH-UHFFFAOYSA-N
XLogP0.93
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(5-oxo-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-8-yl)-N-propan-2-ylacetamide?
The IUPAC name of N-ethyl-2-(5-oxo-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-8-yl)-N-propan-2-ylacetamide (CID 59751921) is N-ethyl-2-(5-oxo-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-8-yl)-N-propan-2-ylacetamide.
What is the SMILES notation for N-ethyl-2-(5-oxo-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-8-yl)-N-propan-2-ylacetamide?
The canonical SMILES for N-ethyl-2-(5-oxo-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-8-yl)-N-propan-2-ylacetamide is CCN(C(=O)Cc1n[nH]c(=O)c2c1NCCC2)C(C)C.
What is the InChIKey of N-ethyl-2-(5-oxo-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-8-yl)-N-propan-2-ylacetamide?
The InChIKey is UVNBLHBBYLZOOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-4-18(9(2)3)12(19)8-11-13-10(6-5-7-15-13)14(20)17-16-11/h9,15H,4-8H2,1-3H3,(H,17,20).
What are the key properties of N-ethyl-2-(5-oxo-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-8-yl)-N-propan-2-ylacetamide?
N-ethyl-2-(5-oxo-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-8-yl)-N-propan-2-ylacetamide has a molecular weight of 278.36 g/mol, XLogP of 0.93, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(5-oxo-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-8-yl)-N-propan-2-ylacetamide is sourced from PubChem (CID 59751921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).