N-(2-ethylpentyl)-N-(2-methylpropyl)-3-[[3-oxo-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-7-yl]amino]propanamide;6-methylpyridine-3-carbonitrile

C29H41F3N6O2 — CID 171492972

IUPACN-(2-ethylpentyl)-N-(2-methylpropyl)-3-[[3-oxo-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-7-yl]amino]propanamide;6-methylpyridine-3-carbonitrile
SMILESCCCC(CC)CN(CC(C)C)C(=O)CCNC1CCc2c1n[nH]c(=O)c2C(F)(F)F.Cc1ccc(C#N)cn1
InChIInChI=1S/C22H35F3N4O2.C7H6N2/c1-5-7-15(6-2)13-29(12-14(3)4)18(30)10-11-26-17-9-8-16-19(22(23,24)25)21(31)28-27-20(16)17;1-6-2-3-7(4-8)5-9-6/h14-15,17,26H,5-13H2,1-4H3,(H,28,31);2-3,5H,1H3
InChIKeyZXXWOZUGDNAGBQ-UHFFFAOYSA-N
MW562.68 g/mol
LogP5.33
Rot. Bonds11

About N-(2-ethylpentyl)-N-(2-methylpropyl)-3-[[3-oxo-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-7-yl]amino]propanamide;6-methylpyridine-3-carbonitrile

N-(2-ethylpentyl)-N-(2-methylpropyl)-3-[[3-oxo-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-7-yl]amino]propanamide;6-methylpyridine-3-carbonitrile (PubChem CID 171492972) has the molecular formula C29H41F3N6O2 and a molecular weight of 562.68 g/mol. Its IUPAC name is N-(2-ethylpentyl)-N-(2-methylpropyl)-3-[[3-oxo-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-7-yl]amino]propanamide;6-methylpyridine-3-carbonitrile.

Molecular Properties

Compound NameN-(2-ethylpentyl)-N-(2-methylpropyl)-3-[[3-oxo-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-7-yl]amino]propanamide;6-methylpyridine-3-carbonitrile
PubChem CID171492972
Molecular FormulaC29H41F3N6O2
Molecular Weight562.68 g/mol
Exact Mass562.32
IUPAC NameN-(2-ethylpentyl)-N-(2-methylpropyl)-3-[[3-oxo-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-7-yl]amino]propanamide;6-methylpyridine-3-carbonitrile
SMILESCCCC(CC)CN(CC(C)C)C(=O)CCNC1CCc2c1n[nH]c(=O)c2C(F)(F)F.Cc1ccc(C#N)cn1
InChIInChI=1S/C22H35F3N4O2.C7H6N2/c1-5-7-15(6-2)13-29(12-14(3)4)18(30)10-11-26-17-9-8-16-19(22(23,24)25)21(31)28-27-20(16)17;1-6-2-3-7(4-8)5-9-6/h14-15,17,26H,5-13H2,1-4H3,(H,28,31);2-3,5H,1H3
InChIKeyZXXWOZUGDNAGBQ-UHFFFAOYSA-N
XLogP5.33
TPSA114.77 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.68
LogP ≤ 55.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(2-ethylpentyl)-N-(2-methylpropyl)-3-[[3-oxo-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-7-yl]amino]propanamide;6-methylpyridine-3-carbonitrile with MolForge

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Related Compounds

3-methyl-N-(3-(6-oxo-3-(pyridin-3-yl)pyridazin-1(6H)-yl)propyl)butanamide
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N-(3-(6-oxo-3-(pyridin-4-yl)pyridazin-1(6H)-yl)propyl)isobutyramide
CID 42143979
1-(6-Oxo-1,6-dihydropyridazin-4-YL)-N-[(pyridin-3-YL)methyl]pyrrolidine-3-carboxamide
CID 91909552
N-(2-fluoroethyl)-6-oxo-3-pyridin-4-yl-1H-pyridazine-5-carboxamide
CID 59017982
N-[1-(4-fluorophenyl)ethyl]-6-oxo-3-pyridin-4-yl-1H-pyridazine-5-carboxamide
CID 59018073
7-oxo-6-propan-2-yl-5-[6-(trifluoromethyl)pyridin-3-yl]-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 90454582
7-oxo-6-propan-2-yl-5-[2-(trifluoromethyl)pyridin-4-yl]-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 90454643
4-[(2R)-2-methyl-4-[[2-(2,2,2-trifluoroethyl)pyridin-3-yl]methyl]piperazin-1-yl]-6-oxo-1H-pyridazine-5-carbonitrile
CID 138471941
4-[(2R)-2-methyl-4-[(1S)-1-[2-(2,2,2-trifluoroethyl)pyridin-3-yl]ethyl]piperazin-1-yl]-6-oxo-1H-pyridazine-5-carbonitrile
CID 138483623
4-[(2R)-4-[(1S)-1-(2-ethylpyridin-3-yl)-2,2,2-trifluoroethyl]-2-methylpiperazin-1-yl]-6-oxo-1H-pyridazine-5-carbonitrile
CID 138483626
4-[(2R)-4-[1-(2-ethylpyridin-3-yl)-2,2,2-trifluoroethyl]-2-methylpiperazin-1-yl]-6-oxo-1H-pyridazine-5-carbonitrile
CID 138483903
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

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylpentyl)-N-(2-methylpropyl)-3-[[3-oxo-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-7-yl]amino]propanamide;6-methylpyridine-3-carbonitrile?
The IUPAC name of N-(2-ethylpentyl)-N-(2-methylpropyl)-3-[[3-oxo-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-7-yl]amino]propanamide;6-methylpyridine-3-carbonitrile (CID 171492972) is N-(2-ethylpentyl)-N-(2-methylpropyl)-3-[[3-oxo-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-7-yl]amino]propanamide;6-methylpyridine-3-carbonitrile.
What is the SMILES notation for N-(2-ethylpentyl)-N-(2-methylpropyl)-3-[[3-oxo-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-7-yl]amino]propanamide;6-methylpyridine-3-carbonitrile?
The canonical SMILES for N-(2-ethylpentyl)-N-(2-methylpropyl)-3-[[3-oxo-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-7-yl]amino]propanamide;6-methylpyridine-3-carbonitrile is CCCC(CC)CN(CC(C)C)C(=O)CCNC1CCc2c1n[nH]c(=O)c2C(F)(F)F.Cc1ccc(C#N)cn1.
What is the InChIKey of N-(2-ethylpentyl)-N-(2-methylpropyl)-3-[[3-oxo-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-7-yl]amino]propanamide;6-methylpyridine-3-carbonitrile?
The InChIKey is ZXXWOZUGDNAGBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35F3N4O2.C7H6N2/c1-5-7-15(6-2)13-29(12-14(3)4)18(30)10-11-26-17-9-8-16-19(22(23,24)25)21(31)28-27-20(16)17;1-6-2-3-7(4-8)5-9-6/h14-15,17,26H,5-13H2,1-4H3,(H,28,31);2-3,5H,1H3.
What are the key properties of N-(2-ethylpentyl)-N-(2-methylpropyl)-3-[[3-oxo-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-7-yl]amino]propanamide;6-methylpyridine-3-carbonitrile?
N-(2-ethylpentyl)-N-(2-methylpropyl)-3-[[3-oxo-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-7-yl]amino]propanamide;6-methylpyridine-3-carbonitrile has a molecular weight of 562.68 g/mol, XLogP of 5.33, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylpentyl)-N-(2-methylpropyl)-3-[[3-oxo-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-7-yl]amino]propanamide;6-methylpyridine-3-carbonitrile is sourced from PubChem (CID 171492972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).