3-(3,3-dimethylbutan-2-ylamino)-4-(pyridin-3-ylamino)cyclobut-3-ene-1,2-dione

C15H19N3O2 — CID 10564182

IUPAC3-(3,3-dimethylbutan-2-ylamino)-4-(pyridin-3-ylamino)cyclobut-3-ene-1,2-dione
SMILESCC(Nc1c(Nc2cccnc2)c(=O)c1=O)C(C)(C)C
InChIInChI=1S/C15H19N3O2/c1-9(15(2,3)4)17-11-12(14(20)13(11)19)18-10-6-5-7-16-8-10/h5-9,17-18H,1-4H3
InChIKeyPZOAMGLKNVWVPY-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.27
Rot. Bonds4

About 3-(3,3-dimethylbutan-2-ylamino)-4-(pyridin-3-ylamino)cyclobut-3-ene-1,2-dione

3-(3,3-dimethylbutan-2-ylamino)-4-(pyridin-3-ylamino)cyclobut-3-ene-1,2-dione (PubChem CID 10564182) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 3-(3,3-dimethylbutan-2-ylamino)-4-(pyridin-3-ylamino)cyclobut-3-ene-1,2-dione.

Molecular Properties

Compound Name3-(3,3-dimethylbutan-2-ylamino)-4-(pyridin-3-ylamino)cyclobut-3-ene-1,2-dione
PubChem CID10564182
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name3-(3,3-dimethylbutan-2-ylamino)-4-(pyridin-3-ylamino)cyclobut-3-ene-1,2-dione
SMILESCC(Nc1c(Nc2cccnc2)c(=O)c1=O)C(C)(C)C
InChIInChI=1S/C15H19N3O2/c1-9(15(2,3)4)17-11-12(14(20)13(11)19)18-10-6-5-7-16-8-10/h5-9,17-18H,1-4H3
InChIKeyPZOAMGLKNVWVPY-UHFFFAOYSA-N
XLogP2.27
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-(3,3-dimethylbutan-2-ylamino)-4-(pyridin-3-ylamino)cyclobut-3-ene-1,2-dione with MolForge

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Related Compounds

N-[1-[[3,4-dioxo-2-(pyridin-3-ylamino)cyclobuten-1-yl]amino]-2,2-dimethylpropyl]-2-phenylacetamide
CID 10200524
5-bromo-N-[1-[[3,4-dioxo-2-(pyridin-3-ylamino)cyclobuten-1-yl]amino]-2,2-dimethylpropyl]pyridine-3-carboxamide
CID 18379713
3-[7-(4-chlorophenoxy)heptan-2-ylamino]-4-(pyridin-3-ylamino)cyclobut-3-ene-1,2-dione
CID 87612561
4-chloro-N-[1-[[3,4-dioxo-2-(pyridin-3-ylamino)cyclobuten-1-yl]amino]propyl]benzamide
CID 10156889
(4S)-2,2-dimethyl-4-(pyridin-3-ylamino)pentan-3-one
CID 71023963
4-N,6-N-diethyl-2-N-pyridin-3-yl-1,3,5-triazine-2,4,6-triamine
CID 7589444
3-chloro-N-[1-[[3,4-dioxo-2-(pyridin-3-ylamino)cyclobuten-1-yl]amino]propyl]benzamide
CID 10134650
(2S)-3-methyl-2-(pyridin-3-ylamino)butanoic acid
CID 59166574
N-[2-(3,3-dimethylbutan-2-ylamino)-3,4-dioxocyclobuten-1-yl]-N-pyridin-4-ylacetamide
CID 22413670
(2S)-2-(pyridin-3-ylamino)propanoic acid
CID 159663521
N-[(3R)-2-methylpentan-3-yl]pyridin-3-amine
CID 67725342
molecular hydrogen;1-(pyridin-3-ylamino)ethanethiol
CID 143056439

Frequently Asked Questions

What is the IUPAC name of 3-(3,3-dimethylbutan-2-ylamino)-4-(pyridin-3-ylamino)cyclobut-3-ene-1,2-dione?
The IUPAC name of 3-(3,3-dimethylbutan-2-ylamino)-4-(pyridin-3-ylamino)cyclobut-3-ene-1,2-dione (CID 10564182) is 3-(3,3-dimethylbutan-2-ylamino)-4-(pyridin-3-ylamino)cyclobut-3-ene-1,2-dione.
What is the SMILES notation for 3-(3,3-dimethylbutan-2-ylamino)-4-(pyridin-3-ylamino)cyclobut-3-ene-1,2-dione?
The canonical SMILES for 3-(3,3-dimethylbutan-2-ylamino)-4-(pyridin-3-ylamino)cyclobut-3-ene-1,2-dione is CC(Nc1c(Nc2cccnc2)c(=O)c1=O)C(C)(C)C.
What is the InChIKey of 3-(3,3-dimethylbutan-2-ylamino)-4-(pyridin-3-ylamino)cyclobut-3-ene-1,2-dione?
The InChIKey is PZOAMGLKNVWVPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-9(15(2,3)4)17-11-12(14(20)13(11)19)18-10-6-5-7-16-8-10/h5-9,17-18H,1-4H3.
What are the key properties of 3-(3,3-dimethylbutan-2-ylamino)-4-(pyridin-3-ylamino)cyclobut-3-ene-1,2-dione?
3-(3,3-dimethylbutan-2-ylamino)-4-(pyridin-3-ylamino)cyclobut-3-ene-1,2-dione has a molecular weight of 273.34 g/mol, XLogP of 2.27, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3-dimethylbutan-2-ylamino)-4-(pyridin-3-ylamino)cyclobut-3-ene-1,2-dione is sourced from PubChem (CID 10564182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).