3-[[2-cyclohexyl-5-[1-(furan-2-yl)propylamino]-3,6-dioxo-1H-pyridazin-4-yl]amino]-2-hydroxy-N,N-dimethylbenzamide

C26H33N5O5 — CID 20772652

IUPAC3-[[2-cyclohexyl-5-[1-(furan-2-yl)propylamino]-3,6-dioxo-1H-pyridazin-4-yl]amino]-2-hydroxy-N,N-dimethylbenzamide
SMILESCCC(Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)n(C2CCCCC2)[nH]c1=O)c1ccco1
InChIInChI=1S/C26H33N5O5/c1-4-18(20-14-9-15-36-20)27-21-22(26(35)31(29-24(21)33)16-10-6-5-7-11-16)28-19-13-8-12-17(23(19)32)25(34)30(2)3/h8-9,12-16,18,27-28,32H,4-7,10-11H2,1-3H3,(H,29,33)
InChIKeyJZIJTKTWGAQOLM-UHFFFAOYSA-N
MW495.58 g/mol
LogP4.35
Rot. Bonds8

About 3-[[2-cyclohexyl-5-[1-(furan-2-yl)propylamino]-3,6-dioxo-1H-pyridazin-4-yl]amino]-2-hydroxy-N,N-dimethylbenzamide

3-[[2-cyclohexyl-5-[1-(furan-2-yl)propylamino]-3,6-dioxo-1H-pyridazin-4-yl]amino]-2-hydroxy-N,N-dimethylbenzamide (PubChem CID 20772652) has the molecular formula C26H33N5O5 and a molecular weight of 495.58 g/mol. Its IUPAC name is 3-[[2-cyclohexyl-5-[1-(furan-2-yl)propylamino]-3,6-dioxo-1H-pyridazin-4-yl]amino]-2-hydroxy-N,N-dimethylbenzamide.

Molecular Properties

Compound Name3-[[2-cyclohexyl-5-[1-(furan-2-yl)propylamino]-3,6-dioxo-1H-pyridazin-4-yl]amino]-2-hydroxy-N,N-dimethylbenzamide
PubChem CID20772652
Molecular FormulaC26H33N5O5
Molecular Weight495.58 g/mol
Exact Mass495.25
IUPAC Name3-[[2-cyclohexyl-5-[1-(furan-2-yl)propylamino]-3,6-dioxo-1H-pyridazin-4-yl]amino]-2-hydroxy-N,N-dimethylbenzamide
SMILESCCC(Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)n(C2CCCCC2)[nH]c1=O)c1ccco1
InChIInChI=1S/C26H33N5O5/c1-4-18(20-14-9-15-36-20)27-21-22(26(35)31(29-24(21)33)16-10-6-5-7-11-16)28-19-13-8-12-17(23(19)32)25(34)30(2)3/h8-9,12-16,18,27-28,32H,4-7,10-11H2,1-3H3,(H,29,33)
InChIKeyJZIJTKTWGAQOLM-UHFFFAOYSA-N
XLogP4.35
TPSA132.60 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.58
LogP ≤ 54.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

3-[[2-cyclohexyl-5-(cyclopentylamino)-3,6-dioxo-1H-pyridazin-4-yl]amino]-2-hydroxy-N,N-dimethylbenzamide
CID 20772656
3-[[2-[[(1S)-1-(furan-2-yl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide
CID 58736186
3-[[2-[1-(furan-2-yl)propylamino]-4-oxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide
CID 142810376
3-[[2-ethyl-3,6-dioxo-5-(1-thiophen-2-ylpropylamino)-1H-pyridazin-4-yl]amino]-2-hydroxy-N,N-dimethylbenzamide
CID 20772660
lithium [2-[3-(dimethylcarbamoyl)-2-hydroxyanilino]-3,4-dioxocyclobuten-1-yl]-[1-(furan-2-yl)propyl]azanide
CID 142180198
3-[[1-cyclohexyl-2,5-dioxo-4-(propan-2-ylamino)pyrrol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide
CID 20795612
3-[[3,6-dioxo-5-[[(1R)-1-thiophen-2-ylpropyl]amino]-1,2-dihydropyridazin-4-yl]amino]-2-hydroxy-N,N-dimethylbenzamide
CID 59996681
3-[[5-(cycloheptylamino)-3,6-dioxo-1,2-dihydropyridazin-4-yl]amino]-2-hydroxy-N,N-dimethylbenzamide
CID 20772773
2-hydroxy-N,N-dimethyl-3-[[2-methyl-5-[[3-methyl-1-oxo-1-(propan-2-ylamino)butan-2-yl]amino]-3,6-dioxo-1H-pyridazin-4-yl]amino]benzamide
CID 20772554
2-hydroxy-N,N-dimethyl-3-[[1-methyl-3,6-dioxo-2-phenyl-5-[[(1R)-1-phenylpropyl]amino]pyridazin-4-yl]amino]benzamide
CID 59996766
3-[[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)propylamino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide
CID 58736368
2-hydroxy-3-[[4-(1-methoxybutan-2-ylamino)-2-methyl-3,6-dioxo-1H-pyridazin-5-yl]amino]-N,N-dimethylbenzamide
CID 20772558

Frequently Asked Questions

What is the IUPAC name of 3-[[2-cyclohexyl-5-[1-(furan-2-yl)propylamino]-3,6-dioxo-1H-pyridazin-4-yl]amino]-2-hydroxy-N,N-dimethylbenzamide?
The IUPAC name of 3-[[2-cyclohexyl-5-[1-(furan-2-yl)propylamino]-3,6-dioxo-1H-pyridazin-4-yl]amino]-2-hydroxy-N,N-dimethylbenzamide (CID 20772652) is 3-[[2-cyclohexyl-5-[1-(furan-2-yl)propylamino]-3,6-dioxo-1H-pyridazin-4-yl]amino]-2-hydroxy-N,N-dimethylbenzamide.
What is the SMILES notation for 3-[[2-cyclohexyl-5-[1-(furan-2-yl)propylamino]-3,6-dioxo-1H-pyridazin-4-yl]amino]-2-hydroxy-N,N-dimethylbenzamide?
The canonical SMILES for 3-[[2-cyclohexyl-5-[1-(furan-2-yl)propylamino]-3,6-dioxo-1H-pyridazin-4-yl]amino]-2-hydroxy-N,N-dimethylbenzamide is CCC(Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)n(C2CCCCC2)[nH]c1=O)c1ccco1.
What is the InChIKey of 3-[[2-cyclohexyl-5-[1-(furan-2-yl)propylamino]-3,6-dioxo-1H-pyridazin-4-yl]amino]-2-hydroxy-N,N-dimethylbenzamide?
The InChIKey is JZIJTKTWGAQOLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N5O5/c1-4-18(20-14-9-15-36-20)27-21-22(26(35)31(29-24(21)33)16-10-6-5-7-11-16)28-19-13-8-12-17(23(19)32)25(34)30(2)3/h8-9,12-16,18,27-28,32H,4-7,10-11H2,1-3H3,(H,29,33).
What are the key properties of 3-[[2-cyclohexyl-5-[1-(furan-2-yl)propylamino]-3,6-dioxo-1H-pyridazin-4-yl]amino]-2-hydroxy-N,N-dimethylbenzamide?
3-[[2-cyclohexyl-5-[1-(furan-2-yl)propylamino]-3,6-dioxo-1H-pyridazin-4-yl]amino]-2-hydroxy-N,N-dimethylbenzamide has a molecular weight of 495.58 g/mol, XLogP of 4.35, 8 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-cyclohexyl-5-[1-(furan-2-yl)propylamino]-3,6-dioxo-1H-pyridazin-4-yl]amino]-2-hydroxy-N,N-dimethylbenzamide is sourced from PubChem (CID 20772652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).