N-[5-(5-cyano-2-pyridinyl)pentyl]-N-propylformamide;4-(trifluoromethyl)-7-(2,2,6-trimethylmorpholin-4-yl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-3-one

C30H41F3N6O3 — CID 171493061

IUPACN-[5-(5-cyano-2-pyridinyl)pentyl]-N-propylformamide;4-(trifluoromethyl)-7-(2,2,6-trimethylmorpholin-4-yl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-3-one
SMILESCC1CN(C2CCc3c2n[nH]c(=O)c3C(F)(F)F)CC(C)(C)O1.CCCN(C=O)CCCCCc1ccc(C#N)cn1
InChIInChI=1S/C15H20F3N3O2.C15H21N3O/c1-8-6-21(7-14(2,3)23-8)10-5-4-9-11(15(16,17)18)13(22)20-19-12(9)10;1-2-9-18(13-19)10-5-3-4-6-15-8-7-14(11-16)12-17-15/h8,10H,4-7H2,1-3H3,(H,20,22);7-8,12-13H,2-6,9-10H2,1H3
InChIKeyLXFPOELPELRGOG-UHFFFAOYSA-N
MW590.69 g/mol
LogP4.81
Rot. Bonds10

About N-[5-(5-cyano-2-pyridinyl)pentyl]-N-propylformamide;4-(trifluoromethyl)-7-(2,2,6-trimethylmorpholin-4-yl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-3-one

N-[5-(5-cyano-2-pyridinyl)pentyl]-N-propylformamide;4-(trifluoromethyl)-7-(2,2,6-trimethylmorpholin-4-yl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-3-one (PubChem CID 171493061) has the molecular formula C30H41F3N6O3 and a molecular weight of 590.69 g/mol. Its IUPAC name is N-[5-(5-cyano-2-pyridinyl)pentyl]-N-propylformamide;4-(trifluoromethyl)-7-(2,2,6-trimethylmorpholin-4-yl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-3-one.

Molecular Properties

Compound NameN-[5-(5-cyano-2-pyridinyl)pentyl]-N-propylformamide;4-(trifluoromethyl)-7-(2,2,6-trimethylmorpholin-4-yl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-3-one
PubChem CID171493061
Molecular FormulaC30H41F3N6O3
Molecular Weight590.69 g/mol
Exact Mass590.32
IUPAC NameN-[5-(5-cyano-2-pyridinyl)pentyl]-N-propylformamide;4-(trifluoromethyl)-7-(2,2,6-trimethylmorpholin-4-yl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-3-one
SMILESCC1CN(C2CCc3c2n[nH]c(=O)c3C(F)(F)F)CC(C)(C)O1.CCCN(C=O)CCCCCc1ccc(C#N)cn1
InChIInChI=1S/C15H20F3N3O2.C15H21N3O/c1-8-6-21(7-14(2,3)23-8)10-5-4-9-11(15(16,17)18)13(22)20-19-12(9)10;1-2-9-18(13-19)10-5-3-4-6-15-8-7-14(11-16)12-17-15/h8,10H,4-7H2,1-3H3,(H,20,22);7-8,12-13H,2-6,9-10H2,1H3
InChIKeyLXFPOELPELRGOG-UHFFFAOYSA-N
XLogP4.81
TPSA115.21 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500590.69
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-[5-(5-cyano-2-pyridinyl)pentyl]-N-propylformamide;4-(trifluoromethyl)-7-(2,2,6-trimethylmorpholin-4-yl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-3-one with MolForge

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Related Compounds

4-[(2R)-2-methyl-4-[(1S)-2,2,2-trifluoro-1-[2-(5-methylhexyl)pyridin-3-yl]ethyl]piperazin-1-yl]-6-oxo-1H-pyridazine-5-carbonitrile
CID 138483904
4-[2-methyl-4-[2,2,2-trifluoro-1-[2-(4-methylpentyl)-3-pyridinyl]ethyl]piperazin-1-yl]-6-oxo-1H-pyridazine-5-carbonitrile
CID 142547111
6-[1-[3-[(2S)-2-[[6-oxo-5-(trifluoromethyl)-1H-pyridazin-4-yl]oxy]propoxy]propanoyl]piperidin-4-yl]pyridine-3-carbonitrile
CID 146218800
6-[1-[3-[2-[[6-oxo-5-(trifluoromethyl)-1H-pyridazin-4-yl]oxy]propoxy]propanoyl]piperidin-4-yl]pyridine-3-carbonitrile
CID 146218803
6-[1-[3-[(2S)-2-[[6-oxo-5-(trifluoromethyl)-1H-pyridazin-4-yl]oxy]propoxy]propanoyl]-3,6-dihydro-2H-pyridin-4-yl]pyridine-3-carbonitrile
CID 146219348
6-[1-[3-[(2S)-2-cyclopropyl-2-[[6-oxo-5-(trifluoromethyl)-1H-pyridazin-4-yl]amino]ethoxy]propanoyl]piperidin-4-yl]pyridine-3-carbonitrile
CID 146231743
6-[1-[3-[2-cyclopropyl-2-[[6-oxo-5-(trifluoromethyl)-1H-pyridazin-4-yl]amino]ethoxy]propanoyl]piperidin-4-yl]pyridine-3-carbonitrile
CID 146231744
6-[1-[3-[2-[[6-oxo-5-(trifluoromethyl)-1H-pyridazin-4-yl]oxy]propoxy]propanoyl]-3,6-dihydro-2H-pyridin-4-yl]pyridine-3-carbonitrile
CID 146484144
6-[1-[3-[2-[[6-oxo-5-(trifluoromethyl)-1H-pyridazin-4-yl]oxy]ethoxy]propanoyl]piperidin-4-yl]pyridine-3-carbonitrile
CID 153358155
6-[1-[3-[2-[[6-oxo-5-(trifluoromethyl)-1H-pyridazin-4-yl]oxy]ethoxy]propanoyl]-3,6-dihydro-2H-pyridin-4-yl]pyridine-3-carbonitrile
CID 153358194
7-[(2R)-butan-2-yl]-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-3-one;(3R)-3-methyl-N-pentyl-3-propoxy-N-propylpent-1-en-2-amine;6-methylpyridine-3-carbonitrile;uranium
CID 171492702
N-butyl-3-[[3-oxo-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-7-yl]amino]-N-propylpropanamide;6-methylpyridine-3-carbonitrile
CID 171492726

Frequently Asked Questions

What is the IUPAC name of N-[5-(5-cyano-2-pyridinyl)pentyl]-N-propylformamide;4-(trifluoromethyl)-7-(2,2,6-trimethylmorpholin-4-yl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-3-one?
The IUPAC name of N-[5-(5-cyano-2-pyridinyl)pentyl]-N-propylformamide;4-(trifluoromethyl)-7-(2,2,6-trimethylmorpholin-4-yl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-3-one (CID 171493061) is N-[5-(5-cyano-2-pyridinyl)pentyl]-N-propylformamide;4-(trifluoromethyl)-7-(2,2,6-trimethylmorpholin-4-yl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-3-one.
What is the SMILES notation for N-[5-(5-cyano-2-pyridinyl)pentyl]-N-propylformamide;4-(trifluoromethyl)-7-(2,2,6-trimethylmorpholin-4-yl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-3-one?
The canonical SMILES for N-[5-(5-cyano-2-pyridinyl)pentyl]-N-propylformamide;4-(trifluoromethyl)-7-(2,2,6-trimethylmorpholin-4-yl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-3-one is CC1CN(C2CCc3c2n[nH]c(=O)c3C(F)(F)F)CC(C)(C)O1.CCCN(C=O)CCCCCc1ccc(C#N)cn1.
What is the InChIKey of N-[5-(5-cyano-2-pyridinyl)pentyl]-N-propylformamide;4-(trifluoromethyl)-7-(2,2,6-trimethylmorpholin-4-yl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-3-one?
The InChIKey is LXFPOELPELRGOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3N3O2.C15H21N3O/c1-8-6-21(7-14(2,3)23-8)10-5-4-9-11(15(16,17)18)13(22)20-19-12(9)10;1-2-9-18(13-19)10-5-3-4-6-15-8-7-14(11-16)12-17-15/h8,10H,4-7H2,1-3H3,(H,20,22);7-8,12-13H,2-6,9-10H2,1H3.
What are the key properties of N-[5-(5-cyano-2-pyridinyl)pentyl]-N-propylformamide;4-(trifluoromethyl)-7-(2,2,6-trimethylmorpholin-4-yl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-3-one?
N-[5-(5-cyano-2-pyridinyl)pentyl]-N-propylformamide;4-(trifluoromethyl)-7-(2,2,6-trimethylmorpholin-4-yl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-3-one has a molecular weight of 590.69 g/mol, XLogP of 4.81, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(5-cyano-2-pyridinyl)pentyl]-N-propylformamide;4-(trifluoromethyl)-7-(2,2,6-trimethylmorpholin-4-yl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-3-one is sourced from PubChem (CID 171493061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).