3-[(6-cyclopropylpyridazin-3-yl)oxymethyl]-N-(oxan-4-yl)pyrrolidine-1-carboxamide

C18H26N4O3 — CID 154576121

IUPAC3-[(6-cyclopropylpyridazin-3-yl)oxymethyl]-N-(oxan-4-yl)pyrrolidine-1-carboxamide
SMILESO=C(NC1CCOCC1)N1CCC(COc2ccc(C3CC3)nn2)C1
InChIInChI=1S/C18H26N4O3/c23-18(19-15-6-9-24-10-7-15)22-8-5-13(11-22)12-25-17-4-3-16(20-21-17)14-1-2-14/h3-4,13-15H,1-2,5-12H2,(H,19,23)
InChIKeyWEBWCNAZHSRYIQ-UHFFFAOYSA-N
MW346.43 g/mol
LogP1.94
Rot. Bonds5

About 3-[(6-cyclopropylpyridazin-3-yl)oxymethyl]-N-(oxan-4-yl)pyrrolidine-1-carboxamide

3-[(6-cyclopropylpyridazin-3-yl)oxymethyl]-N-(oxan-4-yl)pyrrolidine-1-carboxamide (PubChem CID 154576121) has the molecular formula C18H26N4O3 and a molecular weight of 346.43 g/mol. Its IUPAC name is 3-[(6-cyclopropylpyridazin-3-yl)oxymethyl]-N-(oxan-4-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name3-[(6-cyclopropylpyridazin-3-yl)oxymethyl]-N-(oxan-4-yl)pyrrolidine-1-carboxamide
PubChem CID154576121
Molecular FormulaC18H26N4O3
Molecular Weight346.43 g/mol
Exact Mass346.20
IUPAC Name3-[(6-cyclopropylpyridazin-3-yl)oxymethyl]-N-(oxan-4-yl)pyrrolidine-1-carboxamide
SMILESO=C(NC1CCOCC1)N1CCC(COc2ccc(C3CC3)nn2)C1
InChIInChI=1S/C18H26N4O3/c23-18(19-15-6-9-24-10-7-15)22-8-5-13(11-22)12-25-17-4-3-16(20-21-17)14-1-2-14/h3-4,13-15H,1-2,5-12H2,(H,19,23)
InChIKeyWEBWCNAZHSRYIQ-UHFFFAOYSA-N
XLogP1.94
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(6-cyclopropylpyridazin-3-yl)oxymethyl]-N-(oxan-4-yl)pyrrolidine-1-carboxamide?
The IUPAC name of 3-[(6-cyclopropylpyridazin-3-yl)oxymethyl]-N-(oxan-4-yl)pyrrolidine-1-carboxamide (CID 154576121) is 3-[(6-cyclopropylpyridazin-3-yl)oxymethyl]-N-(oxan-4-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for 3-[(6-cyclopropylpyridazin-3-yl)oxymethyl]-N-(oxan-4-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for 3-[(6-cyclopropylpyridazin-3-yl)oxymethyl]-N-(oxan-4-yl)pyrrolidine-1-carboxamide is O=C(NC1CCOCC1)N1CCC(COc2ccc(C3CC3)nn2)C1.
What is the InChIKey of 3-[(6-cyclopropylpyridazin-3-yl)oxymethyl]-N-(oxan-4-yl)pyrrolidine-1-carboxamide?
The InChIKey is WEBWCNAZHSRYIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O3/c23-18(19-15-6-9-24-10-7-15)22-8-5-13(11-22)12-25-17-4-3-16(20-21-17)14-1-2-14/h3-4,13-15H,1-2,5-12H2,(H,19,23).
What are the key properties of 3-[(6-cyclopropylpyridazin-3-yl)oxymethyl]-N-(oxan-4-yl)pyrrolidine-1-carboxamide?
3-[(6-cyclopropylpyridazin-3-yl)oxymethyl]-N-(oxan-4-yl)pyrrolidine-1-carboxamide has a molecular weight of 346.43 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-cyclopropylpyridazin-3-yl)oxymethyl]-N-(oxan-4-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 154576121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).