N,N'-bis(2,5-dimethylpyrrol-1-yl)oxamide

C14H18N4O2 — CID 22634612

IUPACN,N'-bis(2,5-dimethylpyrrol-1-yl)oxamide
SMILESCc1ccc(C)n1NC(=O)C(=O)Nn1c(C)ccc1C
InChIInChI=1S/C14H18N4O2/c1-9-5-6-10(2)17(9)15-13(19)14(20)16-18-11(3)7-8-12(18)4/h5-8H,1-4H3,(H,15,19)(H,16,20)
InChIKeyZKIZSQINSUMBTN-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.36
Rot. Bonds2

About N,N'-bis(2,5-dimethylpyrrol-1-yl)oxamide

N,N'-bis(2,5-dimethylpyrrol-1-yl)oxamide (PubChem CID 22634612) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is N,N'-bis(2,5-dimethylpyrrol-1-yl)oxamide.

Molecular Properties

Compound NameN,N'-bis(2,5-dimethylpyrrol-1-yl)oxamide
PubChem CID22634612
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC NameN,N'-bis(2,5-dimethylpyrrol-1-yl)oxamide
SMILESCc1ccc(C)n1NC(=O)C(=O)Nn1c(C)ccc1C
InChIInChI=1S/C14H18N4O2/c1-9-5-6-10(2)17(9)15-13(19)14(20)16-18-11(3)7-8-12(18)4/h5-8H,1-4H3,(H,15,19)(H,16,20)
InChIKeyZKIZSQINSUMBTN-UHFFFAOYSA-N
XLogP1.36
TPSA68.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2,5-Dimethyl-1H-pyrrol-1-yl)-2-(di-2-propen-1-ylamino)acetamide
CID 72768
2-(Bis(1-methylethyl)amino)-N-(2,5-dimethyl-1H-pyrrol-1-yl)acetamide
CID 96785
Acetamide, N-(2,5-dimethylpyrrol-1-yl)-2-(dipropylamino)-
CID 30206
Acetamide, 2-(diethylamino)-N-(2,5-dimethylpyrrol-1-yl)-
CID 209855
Acetamide, 2-(dibutylamino)-N-(2,5-dimethylpyrrol-1-yl)-
CID 209856
Acetamide, 2-(diisopentylamino)-N-(2,5-dimethylpyrrol-1-yl)-
CID 209857
Acetamide, 2-(dihexylamino)-N-(2,5-dimethyl-1-pyrrolyl)-
CID 209858
Acetamide, 2-(diisobutylamino)-N-(2,5-dimethylpyrrol-1-yl)-
CID 209877
2,2',5,5'-Tetramethyl-1,1'-bipyrrole
CID 139173
N-(2,5-dimethyl-1H-pyrrol-1-yl)acetamide
CID 39730319
N-(2,5-dimethylpyrrol-1-yl)-3-(N-[3-[(2,5-dimethylpyrrol-1-yl)amino]-3-oxopropyl]-4-iodoanilino)propanamide
CID 71652645
N-stearamido-2,5-dimethylpyrrole
CID 129726977

Frequently Asked Questions

What is the IUPAC name of N,N'-bis(2,5-dimethylpyrrol-1-yl)oxamide?
The IUPAC name of N,N'-bis(2,5-dimethylpyrrol-1-yl)oxamide (CID 22634612) is N,N'-bis(2,5-dimethylpyrrol-1-yl)oxamide.
What is the SMILES notation for N,N'-bis(2,5-dimethylpyrrol-1-yl)oxamide?
The canonical SMILES for N,N'-bis(2,5-dimethylpyrrol-1-yl)oxamide is Cc1ccc(C)n1NC(=O)C(=O)Nn1c(C)ccc1C.
What is the InChIKey of N,N'-bis(2,5-dimethylpyrrol-1-yl)oxamide?
The InChIKey is ZKIZSQINSUMBTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-9-5-6-10(2)17(9)15-13(19)14(20)16-18-11(3)7-8-12(18)4/h5-8H,1-4H3,(H,15,19)(H,16,20).
What are the key properties of N,N'-bis(2,5-dimethylpyrrol-1-yl)oxamide?
N,N'-bis(2,5-dimethylpyrrol-1-yl)oxamide has a molecular weight of 274.32 g/mol, XLogP of 1.36, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(2,5-dimethylpyrrol-1-yl)oxamide is sourced from PubChem (CID 22634612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).