2-phenylmethoxy-N-pyridazin-4-yl-5-pyrrolidin-1-ylbenzamide

C22H22N4O2 — CID 155516354

IUPAC2-phenylmethoxy-N-pyridazin-4-yl-5-pyrrolidin-1-ylbenzamide
SMILESO=C(Nc1ccnnc1)c1cc(N2CCCC2)ccc1OCc1ccccc1
InChIInChI=1S/C22H22N4O2/c27-22(25-18-10-11-23-24-15-18)20-14-19(26-12-4-5-13-26)8-9-21(20)28-16-17-6-2-1-3-7-17/h1-3,6-11,14-15H,4-5,12-13,16H2,(H,23,25,27)
InChIKeyNFLFGUDQEHTUPE-UHFFFAOYSA-N
MW374.44 g/mol
LogP3.91
Rot. Bonds6

About 2-phenylmethoxy-N-pyridazin-4-yl-5-pyrrolidin-1-ylbenzamide

2-phenylmethoxy-N-pyridazin-4-yl-5-pyrrolidin-1-ylbenzamide (PubChem CID 155516354) has the molecular formula C22H22N4O2 and a molecular weight of 374.44 g/mol. Its IUPAC name is 2-phenylmethoxy-N-pyridazin-4-yl-5-pyrrolidin-1-ylbenzamide.

Molecular Properties

Compound Name2-phenylmethoxy-N-pyridazin-4-yl-5-pyrrolidin-1-ylbenzamide
PubChem CID155516354
Molecular FormulaC22H22N4O2
Molecular Weight374.44 g/mol
Exact Mass374.17
IUPAC Name2-phenylmethoxy-N-pyridazin-4-yl-5-pyrrolidin-1-ylbenzamide
SMILESO=C(Nc1ccnnc1)c1cc(N2CCCC2)ccc1OCc1ccccc1
InChIInChI=1S/C22H22N4O2/c27-22(25-18-10-11-23-24-15-18)20-14-19(26-12-4-5-13-26)8-9-21(20)28-16-17-6-2-1-3-7-17/h1-3,6-11,14-15H,4-5,12-13,16H2,(H,23,25,27)
InChIKeyNFLFGUDQEHTUPE-UHFFFAOYSA-N
XLogP3.91
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-phenylmethoxy-N-pyridazin-4-yl-5-pyrrolidin-1-ylbenzamide?
The IUPAC name of 2-phenylmethoxy-N-pyridazin-4-yl-5-pyrrolidin-1-ylbenzamide (CID 155516354) is 2-phenylmethoxy-N-pyridazin-4-yl-5-pyrrolidin-1-ylbenzamide.
What is the SMILES notation for 2-phenylmethoxy-N-pyridazin-4-yl-5-pyrrolidin-1-ylbenzamide?
The canonical SMILES for 2-phenylmethoxy-N-pyridazin-4-yl-5-pyrrolidin-1-ylbenzamide is O=C(Nc1ccnnc1)c1cc(N2CCCC2)ccc1OCc1ccccc1.
What is the InChIKey of 2-phenylmethoxy-N-pyridazin-4-yl-5-pyrrolidin-1-ylbenzamide?
The InChIKey is NFLFGUDQEHTUPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2/c27-22(25-18-10-11-23-24-15-18)20-14-19(26-12-4-5-13-26)8-9-21(20)28-16-17-6-2-1-3-7-17/h1-3,6-11,14-15H,4-5,12-13,16H2,(H,23,25,27).
What are the key properties of 2-phenylmethoxy-N-pyridazin-4-yl-5-pyrrolidin-1-ylbenzamide?
2-phenylmethoxy-N-pyridazin-4-yl-5-pyrrolidin-1-ylbenzamide has a molecular weight of 374.44 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylmethoxy-N-pyridazin-4-yl-5-pyrrolidin-1-ylbenzamide is sourced from PubChem (CID 155516354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).