N-(2-methoxyethyl)-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)acetamide

C16H18N4O3 — CID 3257813

IUPACN-(2-methoxyethyl)-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)acetamide
SMILESCOCCNC(=O)Cn1c2ccccc2c2nc(=O)cc(C)n21
InChIInChI=1S/C16H18N4O3/c1-11-9-14(21)18-16-12-5-3-4-6-13(12)19(20(11)16)10-15(22)17-7-8-23-2/h3-6,9H,7-8,10H2,1-2H3,(H,17,22)
InChIKeyDQFKWWGLYJTKSD-UHFFFAOYSA-N
MW314.35 g/mol
LogP0.72
Rot. Bonds5

About N-(2-methoxyethyl)-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)acetamide

N-(2-methoxyethyl)-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)acetamide (PubChem CID 3257813) has the molecular formula C16H18N4O3 and a molecular weight of 314.35 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)acetamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)acetamide
PubChem CID3257813
Molecular FormulaC16H18N4O3
Molecular Weight314.35 g/mol
Exact Mass314.14
IUPAC NameN-(2-methoxyethyl)-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)acetamide
SMILESCOCCNC(=O)Cn1c2ccccc2c2nc(=O)cc(C)n21
InChIInChI=1S/C16H18N4O3/c1-11-9-14(21)18-16-12-5-3-4-6-13(12)19(20(11)16)10-15(22)17-7-8-23-2/h3-6,9H,7-8,10H2,1-2H3,(H,17,22)
InChIKeyDQFKWWGLYJTKSD-UHFFFAOYSA-N
XLogP0.72
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)acetamide?
The IUPAC name of N-(2-methoxyethyl)-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)acetamide (CID 3257813) is N-(2-methoxyethyl)-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)acetamide.
What is the SMILES notation for N-(2-methoxyethyl)-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)acetamide?
The canonical SMILES for N-(2-methoxyethyl)-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)acetamide is COCCNC(=O)Cn1c2ccccc2c2nc(=O)cc(C)n21.
What is the InChIKey of N-(2-methoxyethyl)-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)acetamide?
The InChIKey is DQFKWWGLYJTKSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O3/c1-11-9-14(21)18-16-12-5-3-4-6-13(12)19(20(11)16)10-15(22)17-7-8-23-2/h3-6,9H,7-8,10H2,1-2H3,(H,17,22).
What are the key properties of N-(2-methoxyethyl)-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)acetamide?
N-(2-methoxyethyl)-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)acetamide has a molecular weight of 314.35 g/mol, XLogP of 0.72, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)acetamide is sourced from PubChem (CID 3257813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).