3-[2-(4-fluorophenyl)pyrimidin-4-yl]oxy-N-(3-pyrrolidin-1-ylpropyl)benzamide

C24H25FN4O2 — CID 46388753

IUPAC3-[2-(4-fluorophenyl)pyrimidin-4-yl]oxy-N-(3-pyrrolidin-1-ylpropyl)benzamide
SMILESO=C(NCCCN1CCCC1)c1cccc(Oc2ccnc(-c3ccc(F)cc3)n2)c1
InChIInChI=1S/C24H25FN4O2/c25-20-9-7-18(8-10-20)23-26-13-11-22(28-23)31-21-6-3-5-19(17-21)24(30)27-12-4-16-29-14-1-2-15-29/h3,5-11,13,17H,1-2,4,12,14-16H2,(H,27,30)
InChIKeyOJHDRGHWEAQVSP-UHFFFAOYSA-N
MW420.49 g/mol
LogP4.29
Rot. Bonds8

About 3-[2-(4-fluorophenyl)pyrimidin-4-yl]oxy-N-(3-pyrrolidin-1-ylpropyl)benzamide

3-[2-(4-fluorophenyl)pyrimidin-4-yl]oxy-N-(3-pyrrolidin-1-ylpropyl)benzamide (PubChem CID 46388753) has the molecular formula C24H25FN4O2 and a molecular weight of 420.49 g/mol. Its IUPAC name is 3-[2-(4-fluorophenyl)pyrimidin-4-yl]oxy-N-(3-pyrrolidin-1-ylpropyl)benzamide.

Molecular Properties

Compound Name3-[2-(4-fluorophenyl)pyrimidin-4-yl]oxy-N-(3-pyrrolidin-1-ylpropyl)benzamide
PubChem CID46388753
Molecular FormulaC24H25FN4O2
Molecular Weight420.49 g/mol
Exact Mass420.20
IUPAC Name3-[2-(4-fluorophenyl)pyrimidin-4-yl]oxy-N-(3-pyrrolidin-1-ylpropyl)benzamide
SMILESO=C(NCCCN1CCCC1)c1cccc(Oc2ccnc(-c3ccc(F)cc3)n2)c1
InChIInChI=1S/C24H25FN4O2/c25-20-9-7-18(8-10-20)23-26-13-11-22(28-23)31-21-6-3-5-19(17-21)24(30)27-12-4-16-29-14-1-2-15-29/h3,5-11,13,17H,1-2,4,12,14-16H2,(H,27,30)
InChIKeyOJHDRGHWEAQVSP-UHFFFAOYSA-N
XLogP4.29
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.49
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(3,4-difluorophenoxy)-N-(3-piperidin-1-ylpropyl)benzamide
CID 58945403
3-[2-(4-fluorophenyl)pyrimidin-4-yl]oxy-N-[(1R)-1-(4-methylphenyl)ethyl]benzamide
CID 92883131
3-[2-(3-fluorophenyl)pyrimidin-4-yl]oxy-N-(2-methylpropyl)benzamide
CID 46388852
3-[[5-(3-fluorophenyl)pyrimidin-2-yl]amino]-N-(3-pyrrolidin-1-ylpropyl)benzamide
CID 50826704
4-[[2-(4-fluorophenyl)pyrimidin-4-yl]amino]-N-(2-piperidin-1-ylethyl)benzamide
CID 53078149
3-[2-(4-methylphenyl)pyrimidin-4-yl]oxy-N-[(4-methylsulfanylphenyl)methyl]benzamide
CID 46388837
N-[(2R)-butan-2-yl]-3-[2-(4-methylphenyl)pyrimidin-4-yl]oxybenzamide
CID 92883133
3-(difluoromethoxy)-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]benzamide
CID 39539519
1-[3-[[3-(4-fluorophenyl)benzoyl]amino]propyl]piperidine-3-carboxamide
CID 118780803
3-[2-(3-methylphenyl)pyrimidin-4-yl]oxy-N-(2-phenylethyl)benzamide
CID 46388743
(3R)-1-[3-[[3-(4-fluorophenyl)benzoyl]amino]propyl]piperidine-3-carboxamide
CID 125172984
3-(4-methyl-3-nitrophenoxy)-N-(3-piperidin-1-ylpropyl)benzamide
CID 58945392

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-fluorophenyl)pyrimidin-4-yl]oxy-N-(3-pyrrolidin-1-ylpropyl)benzamide?
The IUPAC name of 3-[2-(4-fluorophenyl)pyrimidin-4-yl]oxy-N-(3-pyrrolidin-1-ylpropyl)benzamide (CID 46388753) is 3-[2-(4-fluorophenyl)pyrimidin-4-yl]oxy-N-(3-pyrrolidin-1-ylpropyl)benzamide.
What is the SMILES notation for 3-[2-(4-fluorophenyl)pyrimidin-4-yl]oxy-N-(3-pyrrolidin-1-ylpropyl)benzamide?
The canonical SMILES for 3-[2-(4-fluorophenyl)pyrimidin-4-yl]oxy-N-(3-pyrrolidin-1-ylpropyl)benzamide is O=C(NCCCN1CCCC1)c1cccc(Oc2ccnc(-c3ccc(F)cc3)n2)c1.
What is the InChIKey of 3-[2-(4-fluorophenyl)pyrimidin-4-yl]oxy-N-(3-pyrrolidin-1-ylpropyl)benzamide?
The InChIKey is OJHDRGHWEAQVSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN4O2/c25-20-9-7-18(8-10-20)23-26-13-11-22(28-23)31-21-6-3-5-19(17-21)24(30)27-12-4-16-29-14-1-2-15-29/h3,5-11,13,17H,1-2,4,12,14-16H2,(H,27,30).
What are the key properties of 3-[2-(4-fluorophenyl)pyrimidin-4-yl]oxy-N-(3-pyrrolidin-1-ylpropyl)benzamide?
3-[2-(4-fluorophenyl)pyrimidin-4-yl]oxy-N-(3-pyrrolidin-1-ylpropyl)benzamide has a molecular weight of 420.49 g/mol, XLogP of 4.29, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-fluorophenyl)pyrimidin-4-yl]oxy-N-(3-pyrrolidin-1-ylpropyl)benzamide is sourced from PubChem (CID 46388753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).