1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]-N-(3-ethoxypropyl)pyrrolidine-3-carboxamide

C18H28N4O3 — CID 91920242

IUPAC1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]-N-(3-ethoxypropyl)pyrrolidine-3-carboxamide
SMILESCCOCCCNC(=O)C1CCN(c2cnn(CC3CC3)c(=O)c2)C1
InChIInChI=1S/C18H28N4O3/c1-2-25-9-3-7-19-18(24)15-6-8-21(13-15)16-10-17(23)22(20-11-16)12-14-4-5-14/h10-11,14-15H,2-9,12-13H2,1H3,(H,19,24)
InChIKeyREDHSCGSPMSHJP-UHFFFAOYSA-N
MW348.45 g/mol
LogP1.02
Rot. Bonds9

About 1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]-N-(3-ethoxypropyl)pyrrolidine-3-carboxamide

1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]-N-(3-ethoxypropyl)pyrrolidine-3-carboxamide (PubChem CID 91920242) has the molecular formula C18H28N4O3 and a molecular weight of 348.45 g/mol. Its IUPAC name is 1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]-N-(3-ethoxypropyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]-N-(3-ethoxypropyl)pyrrolidine-3-carboxamide
PubChem CID91920242
Molecular FormulaC18H28N4O3
Molecular Weight348.45 g/mol
Exact Mass348.22
IUPAC Name1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]-N-(3-ethoxypropyl)pyrrolidine-3-carboxamide
SMILESCCOCCCNC(=O)C1CCN(c2cnn(CC3CC3)c(=O)c2)C1
InChIInChI=1S/C18H28N4O3/c1-2-25-9-3-7-19-18(24)15-6-8-21(13-15)16-10-17(23)22(20-11-16)12-14-4-5-14/h10-11,14-15H,2-9,12-13H2,1H3,(H,19,24)
InChIKeyREDHSCGSPMSHJP-UHFFFAOYSA-N
XLogP1.02
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 51.02
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 1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]-N-(3-ethoxypropyl)pyrrolidine-3-carboxamide?
The IUPAC name of 1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]-N-(3-ethoxypropyl)pyrrolidine-3-carboxamide (CID 91920242) is 1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]-N-(3-ethoxypropyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]-N-(3-ethoxypropyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]-N-(3-ethoxypropyl)pyrrolidine-3-carboxamide is CCOCCCNC(=O)C1CCN(c2cnn(CC3CC3)c(=O)c2)C1.
What is the InChIKey of 1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]-N-(3-ethoxypropyl)pyrrolidine-3-carboxamide?
The InChIKey is REDHSCGSPMSHJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O3/c1-2-25-9-3-7-19-18(24)15-6-8-21(13-15)16-10-17(23)22(20-11-16)12-14-4-5-14/h10-11,14-15H,2-9,12-13H2,1H3,(H,19,24).
What are the key properties of 1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]-N-(3-ethoxypropyl)pyrrolidine-3-carboxamide?
1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]-N-(3-ethoxypropyl)pyrrolidine-3-carboxamide has a molecular weight of 348.45 g/mol, XLogP of 1.02, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]-N-(3-ethoxypropyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 91920242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).