N-[2-oxo-1-[4-[6-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]pyridazin-3-yl]butyl]-4-pyridinyl]-2-phenylacetamide

C30H28F3N5O4 — CID 118622466

IUPACN-[2-oxo-1-[4-[6-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]pyridazin-3-yl]butyl]-4-pyridinyl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)Nc1ccn(CCCCc2ccc(NC(=O)Cc3cccc(OC(F)(F)F)c3)nn2)c(=O)c1
InChIInChI=1S/C30H28F3N5O4/c31-30(32,33)42-25-11-6-9-22(17-25)19-28(40)35-26-13-12-23(36-37-26)10-4-5-15-38-16-14-24(20-29(38)41)34-27(39)18-21-7-2-1-3-8-21/h1-3,6-9,11-14,16-17,20H,4-5,10,15,18-19H2,(H,34,39)(H,35,37,40)
InChIKeyGZWKNJQHHUEMTA-UHFFFAOYSA-N
MW579.58 g/mol
LogP4.92
Rot. Bonds12

About N-[2-oxo-1-[4-[6-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]pyridazin-3-yl]butyl]-4-pyridinyl]-2-phenylacetamide

N-[2-oxo-1-[4-[6-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]pyridazin-3-yl]butyl]-4-pyridinyl]-2-phenylacetamide (PubChem CID 118622466) has the molecular formula C30H28F3N5O4 and a molecular weight of 579.58 g/mol. Its IUPAC name is N-[2-oxo-1-[4-[6-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]pyridazin-3-yl]butyl]-4-pyridinyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[2-oxo-1-[4-[6-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]pyridazin-3-yl]butyl]-4-pyridinyl]-2-phenylacetamide
PubChem CID118622466
Molecular FormulaC30H28F3N5O4
Molecular Weight579.58 g/mol
Exact Mass579.21
IUPAC NameN-[2-oxo-1-[4-[6-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]pyridazin-3-yl]butyl]-4-pyridinyl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)Nc1ccn(CCCCc2ccc(NC(=O)Cc3cccc(OC(F)(F)F)c3)nn2)c(=O)c1
InChIInChI=1S/C30H28F3N5O4/c31-30(32,33)42-25-11-6-9-22(17-25)19-28(40)35-26-13-12-23(36-37-26)10-4-5-15-38-16-14-24(20-29(38)41)34-27(39)18-21-7-2-1-3-8-21/h1-3,6-9,11-14,16-17,20H,4-5,10,15,18-19H2,(H,34,39)(H,35,37,40)
InChIKeyGZWKNJQHHUEMTA-UHFFFAOYSA-N
XLogP4.92
TPSA115.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500579.58
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[6-[4-[5-[[2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetyl]amino]-1,3,4-selenadiazol-2-yl]butyl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide
CID 155537207
N-[5-[4-[6-[[2-[3-(difluoromethoxy)phenyl]acetyl]amino]pyridazin-3-yl]butyl]-1,3,4-thiadiazol-2-yl]-2-phenylacetamide
CID 71577348
N-[6-[4-[5-[[2-(3,5-difluorophenyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide
CID 71577518
2-phenyl-N-[6-[4-[5-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]pyridazin-3-yl]acetamide
CID 74982650
2-phenyl-N-[5-[4-[6-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]pyridazin-3-yl]butyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 74982788
2-phenyl-N-[5-[4-[6-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]pyridazin-3-yl]butyl]-1,3,4-thiadiazol-2-yl]propanamide
CID 74982814
N-(6-(4-(5-amino-1,3,4-thiadiazol-2-yl)butyl)pyridazin-3-yl)-2-(3-(trifluoromethoxy)phenyl)acetamide
CID 74982828
N-[6-[4-[5-[[2-(3-methoxyphenyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide
CID 74982829
N-[6-[4-[5-[[2-(2,5-difluorophenyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide
CID 74982830
2-(4-fluorophenyl)-N-[5-[4-[6-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]pyridazin-3-yl]butyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 74982831
N-[6-[4-[5-[[2-(2,3-difluorophenyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide
CID 74982832
N-[6-[4-[5-[[2-[3-(difluoromethoxy)phenyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]pyridazin-3-yl]-2-phenylacetamide
CID 74982833

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-1-[4-[6-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]pyridazin-3-yl]butyl]-4-pyridinyl]-2-phenylacetamide?
The IUPAC name of N-[2-oxo-1-[4-[6-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]pyridazin-3-yl]butyl]-4-pyridinyl]-2-phenylacetamide (CID 118622466) is N-[2-oxo-1-[4-[6-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]pyridazin-3-yl]butyl]-4-pyridinyl]-2-phenylacetamide.
What is the SMILES notation for N-[2-oxo-1-[4-[6-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]pyridazin-3-yl]butyl]-4-pyridinyl]-2-phenylacetamide?
The canonical SMILES for N-[2-oxo-1-[4-[6-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]pyridazin-3-yl]butyl]-4-pyridinyl]-2-phenylacetamide is O=C(Cc1ccccc1)Nc1ccn(CCCCc2ccc(NC(=O)Cc3cccc(OC(F)(F)F)c3)nn2)c(=O)c1.
What is the InChIKey of N-[2-oxo-1-[4-[6-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]pyridazin-3-yl]butyl]-4-pyridinyl]-2-phenylacetamide?
The InChIKey is GZWKNJQHHUEMTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28F3N5O4/c31-30(32,33)42-25-11-6-9-22(17-25)19-28(40)35-26-13-12-23(36-37-26)10-4-5-15-38-16-14-24(20-29(38)41)34-27(39)18-21-7-2-1-3-8-21/h1-3,6-9,11-14,16-17,20H,4-5,10,15,18-19H2,(H,34,39)(H,35,37,40).
What are the key properties of N-[2-oxo-1-[4-[6-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]pyridazin-3-yl]butyl]-4-pyridinyl]-2-phenylacetamide?
N-[2-oxo-1-[4-[6-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]pyridazin-3-yl]butyl]-4-pyridinyl]-2-phenylacetamide has a molecular weight of 579.58 g/mol, XLogP of 4.92, 12 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-1-[4-[6-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]pyridazin-3-yl]butyl]-4-pyridinyl]-2-phenylacetamide is sourced from PubChem (CID 118622466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).