N-(2-methoxyethyl)-N-[(1-methylpyrazol-4-yl)methyl]-2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)acetamide

C18H26N6O3 — CID 72940518

IUPACN-(2-methoxyethyl)-N-[(1-methylpyrazol-4-yl)methyl]-2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)acetamide
SMILESCOCCN(Cc1cnn(C)c1)C(=O)Cn1ncc(N2CCCC2)cc1=O
InChIInChI=1S/C18H26N6O3/c1-21-12-15(10-19-21)13-23(7-8-27-2)18(26)14-24-17(25)9-16(11-20-24)22-5-3-4-6-22/h9-12H,3-8,13-14H2,1-2H3
InChIKeyKEQLTUMETRLTTE-UHFFFAOYSA-N
MW374.45 g/mol
LogP0.25
Rot. Bonds8

About N-(2-methoxyethyl)-N-[(1-methylpyrazol-4-yl)methyl]-2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)acetamide

N-(2-methoxyethyl)-N-[(1-methylpyrazol-4-yl)methyl]-2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)acetamide (PubChem CID 72940518) has the molecular formula C18H26N6O3 and a molecular weight of 374.45 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N-[(1-methylpyrazol-4-yl)methyl]-2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-N-[(1-methylpyrazol-4-yl)methyl]-2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)acetamide
PubChem CID72940518
Molecular FormulaC18H26N6O3
Molecular Weight374.45 g/mol
Exact Mass374.21
IUPAC NameN-(2-methoxyethyl)-N-[(1-methylpyrazol-4-yl)methyl]-2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)acetamide
SMILESCOCCN(Cc1cnn(C)c1)C(=O)Cn1ncc(N2CCCC2)cc1=O
InChIInChI=1S/C18H26N6O3/c1-21-12-15(10-19-21)13-23(7-8-27-2)18(26)14-24-17(25)9-16(11-20-24)22-5-3-4-6-22/h9-12H,3-8,13-14H2,1-2H3
InChIKeyKEQLTUMETRLTTE-UHFFFAOYSA-N
XLogP0.25
TPSA85.49 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.45
LogP ≤ 50.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-N-[(1-methylpyrazol-4-yl)methyl]-2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)acetamide?
The IUPAC name of N-(2-methoxyethyl)-N-[(1-methylpyrazol-4-yl)methyl]-2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)acetamide (CID 72940518) is N-(2-methoxyethyl)-N-[(1-methylpyrazol-4-yl)methyl]-2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)acetamide.
What is the SMILES notation for N-(2-methoxyethyl)-N-[(1-methylpyrazol-4-yl)methyl]-2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)acetamide?
The canonical SMILES for N-(2-methoxyethyl)-N-[(1-methylpyrazol-4-yl)methyl]-2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)acetamide is COCCN(Cc1cnn(C)c1)C(=O)Cn1ncc(N2CCCC2)cc1=O.
What is the InChIKey of N-(2-methoxyethyl)-N-[(1-methylpyrazol-4-yl)methyl]-2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)acetamide?
The InChIKey is KEQLTUMETRLTTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6O3/c1-21-12-15(10-19-21)13-23(7-8-27-2)18(26)14-24-17(25)9-16(11-20-24)22-5-3-4-6-22/h9-12H,3-8,13-14H2,1-2H3.
What are the key properties of N-(2-methoxyethyl)-N-[(1-methylpyrazol-4-yl)methyl]-2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)acetamide?
N-(2-methoxyethyl)-N-[(1-methylpyrazol-4-yl)methyl]-2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)acetamide has a molecular weight of 374.45 g/mol, XLogP of 0.25, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-N-[(1-methylpyrazol-4-yl)methyl]-2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)acetamide is sourced from PubChem (CID 72940518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).