N-cyclopentyl-1-(2-methylpropyl)-6-oxo-N-(2,2,2-trifluoroethyl)-4,5-dihydropyridazine-3-carboxamide

C16H24F3N3O2 — CID 86794824

IUPACN-cyclopentyl-1-(2-methylpropyl)-6-oxo-N-(2,2,2-trifluoroethyl)-4,5-dihydropyridazine-3-carboxamide
SMILESCC(C)CN1N=C(C(=O)N(CC(F)(F)F)C2CCCC2)CCC1=O
InChIInChI=1S/C16H24F3N3O2/c1-11(2)9-22-14(23)8-7-13(20-22)15(24)21(10-16(17,18)19)12-5-3-4-6-12/h11-12H,3-10H2,1-2H3
InChIKeyDGSCRGKZDCZXDA-UHFFFAOYSA-N
MW347.38 g/mol
LogP2.95
Rot. Bonds5

About N-cyclopentyl-1-(2-methylpropyl)-6-oxo-N-(2,2,2-trifluoroethyl)-4,5-dihydropyridazine-3-carboxamide

N-cyclopentyl-1-(2-methylpropyl)-6-oxo-N-(2,2,2-trifluoroethyl)-4,5-dihydropyridazine-3-carboxamide (PubChem CID 86794824) has the molecular formula C16H24F3N3O2 and a molecular weight of 347.38 g/mol. Its IUPAC name is N-cyclopentyl-1-(2-methylpropyl)-6-oxo-N-(2,2,2-trifluoroethyl)-4,5-dihydropyridazine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-1-(2-methylpropyl)-6-oxo-N-(2,2,2-trifluoroethyl)-4,5-dihydropyridazine-3-carboxamide
PubChem CID86794824
Molecular FormulaC16H24F3N3O2
Molecular Weight347.38 g/mol
Exact Mass347.18
IUPAC NameN-cyclopentyl-1-(2-methylpropyl)-6-oxo-N-(2,2,2-trifluoroethyl)-4,5-dihydropyridazine-3-carboxamide
SMILESCC(C)CN1N=C(C(=O)N(CC(F)(F)F)C2CCCC2)CCC1=O
InChIInChI=1S/C16H24F3N3O2/c1-11(2)9-22-14(23)8-7-13(20-22)15(24)21(10-16(17,18)19)12-5-3-4-6-12/h11-12H,3-10H2,1-2H3
InChIKeyDGSCRGKZDCZXDA-UHFFFAOYSA-N
XLogP2.95
TPSA52.98 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[cyclopentyl-(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]acetic acid
CID 60825419
N-methyl-1-(2-methylpropyl)-6-oxo-N-(1-thiophen-3-ylpropan-2-yl)-4,5-dihydropyridazine-3-carboxamide
CID 75508852
1-(2,2-difluoroethyl)-6-oxo-4,5-dihydropyridazine-3-carboxylic acid
CID 63937995
N-[(1R)-1-cyclopropylethyl]-1-(3-methylphenyl)-6-oxo-N-(2,2,2-trifluoroethyl)-4,5-dihydropyridazine-3-carboxamide
CID 8852109
(3S)-N-cyclopropyl-5-oxo-1-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 97017758
N-cyclohexyl-N-ethyl-1-(3-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 24616917
N-cyclopropyl-2-(propan-2-ylamino)-N-(2,2,2-trifluoroethyl)benzamide
CID 63108556
1-methyl-N-[(3R)-oxan-3-yl]-3-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide
CID 97051800
6-oxo-1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-4,5-dihydropyridazine-3-carboxylic acid
CID 61492572
N-cyclopropyl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
CID 116655125
1-[(1S,2R)-2-aminocyclohexyl]-N-cyclopropyl-N-(2,2,2-trifluoroethyl)triazole-4-carboxamide
CID 138011430
2-[cyclopentyl-[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetic acid
CID 61203827

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-1-(2-methylpropyl)-6-oxo-N-(2,2,2-trifluoroethyl)-4,5-dihydropyridazine-3-carboxamide?
The IUPAC name of N-cyclopentyl-1-(2-methylpropyl)-6-oxo-N-(2,2,2-trifluoroethyl)-4,5-dihydropyridazine-3-carboxamide (CID 86794824) is N-cyclopentyl-1-(2-methylpropyl)-6-oxo-N-(2,2,2-trifluoroethyl)-4,5-dihydropyridazine-3-carboxamide.
What is the SMILES notation for N-cyclopentyl-1-(2-methylpropyl)-6-oxo-N-(2,2,2-trifluoroethyl)-4,5-dihydropyridazine-3-carboxamide?
The canonical SMILES for N-cyclopentyl-1-(2-methylpropyl)-6-oxo-N-(2,2,2-trifluoroethyl)-4,5-dihydropyridazine-3-carboxamide is CC(C)CN1N=C(C(=O)N(CC(F)(F)F)C2CCCC2)CCC1=O.
What is the InChIKey of N-cyclopentyl-1-(2-methylpropyl)-6-oxo-N-(2,2,2-trifluoroethyl)-4,5-dihydropyridazine-3-carboxamide?
The InChIKey is DGSCRGKZDCZXDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F3N3O2/c1-11(2)9-22-14(23)8-7-13(20-22)15(24)21(10-16(17,18)19)12-5-3-4-6-12/h11-12H,3-10H2,1-2H3.
What are the key properties of N-cyclopentyl-1-(2-methylpropyl)-6-oxo-N-(2,2,2-trifluoroethyl)-4,5-dihydropyridazine-3-carboxamide?
N-cyclopentyl-1-(2-methylpropyl)-6-oxo-N-(2,2,2-trifluoroethyl)-4,5-dihydropyridazine-3-carboxamide has a molecular weight of 347.38 g/mol, XLogP of 2.95, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-1-(2-methylpropyl)-6-oxo-N-(2,2,2-trifluoroethyl)-4,5-dihydropyridazine-3-carboxamide is sourced from PubChem (CID 86794824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).