2-(2-cyclopropyl-8-ethyl-5-oxopyrido[2,3-d]pyridazin-6-yl)-N-[1-[(Z)-propylideneamino]ethenyl]acetamide;ethane

C21H29N5O2 — CID 168980034

IUPAC2-(2-cyclopropyl-8-ethyl-5-oxopyrido[2,3-d]pyridazin-6-yl)-N-[1-[(Z)-propylideneamino]ethenyl]acetamide;ethane
SMILESC=C(/N=C\CC)NC(=O)Cn1nc(CC)c2nc(C3CC3)ccc2c1=O.CC
InChIInChI=1S/C19H23N5O2.C2H6/c1-4-10-20-12(3)21-17(25)11-24-19(26)14-8-9-16(13-6-7-13)22-18(14)15(5-2)23-24;1-2/h8-10,13H,3-7,11H2,1-2H3,(H,21,25);1-2H3/b20-10-;
InChIKeyLDDLATGTSOSRRZ-NVMQZCJTSA-N
MW383.50 g/mol
LogP3.33
Rot. Bonds7

About 2-(2-cyclopropyl-8-ethyl-5-oxopyrido[2,3-d]pyridazin-6-yl)-N-[1-[(Z)-propylideneamino]ethenyl]acetamide;ethane

2-(2-cyclopropyl-8-ethyl-5-oxopyrido[2,3-d]pyridazin-6-yl)-N-[1-[(Z)-propylideneamino]ethenyl]acetamide;ethane (PubChem CID 168980034) has the molecular formula C21H29N5O2 and a molecular weight of 383.50 g/mol. Its IUPAC name is 2-(2-cyclopropyl-8-ethyl-5-oxopyrido[2,3-d]pyridazin-6-yl)-N-[1-[(Z)-propylideneamino]ethenyl]acetamide;ethane.

Molecular Properties

Compound Name2-(2-cyclopropyl-8-ethyl-5-oxopyrido[2,3-d]pyridazin-6-yl)-N-[1-[(Z)-propylideneamino]ethenyl]acetamide;ethane
PubChem CID168980034
Molecular FormulaC21H29N5O2
Molecular Weight383.50 g/mol
Exact Mass383.23
IUPAC Name2-(2-cyclopropyl-8-ethyl-5-oxopyrido[2,3-d]pyridazin-6-yl)-N-[1-[(Z)-propylideneamino]ethenyl]acetamide;ethane
SMILESC=C(/N=C\CC)NC(=O)Cn1nc(CC)c2nc(C3CC3)ccc2c1=O.CC
InChIInChI=1S/C19H23N5O2.C2H6/c1-4-10-20-12(3)21-17(25)11-24-19(26)14-8-9-16(13-6-7-13)22-18(14)15(5-2)23-24;1-2/h8-10,13H,3-7,11H2,1-2H3,(H,21,25);1-2H3/b20-10-;
InChIKeyLDDLATGTSOSRRZ-NVMQZCJTSA-N
XLogP3.33
TPSA89.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.50
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclopropyl-8-ethyl-5-oxopyrido[2,3-d]pyridazin-6-yl)-N-[1-[(Z)-propylideneamino]ethenyl]acetamide;ethane?
The IUPAC name of 2-(2-cyclopropyl-8-ethyl-5-oxopyrido[2,3-d]pyridazin-6-yl)-N-[1-[(Z)-propylideneamino]ethenyl]acetamide;ethane (CID 168980034) is 2-(2-cyclopropyl-8-ethyl-5-oxopyrido[2,3-d]pyridazin-6-yl)-N-[1-[(Z)-propylideneamino]ethenyl]acetamide;ethane.
What is the SMILES notation for 2-(2-cyclopropyl-8-ethyl-5-oxopyrido[2,3-d]pyridazin-6-yl)-N-[1-[(Z)-propylideneamino]ethenyl]acetamide;ethane?
The canonical SMILES for 2-(2-cyclopropyl-8-ethyl-5-oxopyrido[2,3-d]pyridazin-6-yl)-N-[1-[(Z)-propylideneamino]ethenyl]acetamide;ethane is C=C(/N=C\CC)NC(=O)Cn1nc(CC)c2nc(C3CC3)ccc2c1=O.CC.
What is the InChIKey of 2-(2-cyclopropyl-8-ethyl-5-oxopyrido[2,3-d]pyridazin-6-yl)-N-[1-[(Z)-propylideneamino]ethenyl]acetamide;ethane?
The InChIKey is LDDLATGTSOSRRZ-NVMQZCJTSA-N. The full InChI is InChI=1S/C19H23N5O2.C2H6/c1-4-10-20-12(3)21-17(25)11-24-19(26)14-8-9-16(13-6-7-13)22-18(14)15(5-2)23-24;1-2/h8-10,13H,3-7,11H2,1-2H3,(H,21,25);1-2H3/b20-10-;.
What are the key properties of 2-(2-cyclopropyl-8-ethyl-5-oxopyrido[2,3-d]pyridazin-6-yl)-N-[1-[(Z)-propylideneamino]ethenyl]acetamide;ethane?
2-(2-cyclopropyl-8-ethyl-5-oxopyrido[2,3-d]pyridazin-6-yl)-N-[1-[(Z)-propylideneamino]ethenyl]acetamide;ethane has a molecular weight of 383.50 g/mol, XLogP of 3.33, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclopropyl-8-ethyl-5-oxopyrido[2,3-d]pyridazin-6-yl)-N-[1-[(Z)-propylideneamino]ethenyl]acetamide;ethane is sourced from PubChem (CID 168980034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).