N,N'-bis(1H-pyrrol-2-ylmethyl)oxamide

C12H14N4O2 — CID 126500406

IUPACN,N'-bis(1H-pyrrol-2-ylmethyl)oxamide
SMILESO=C(NCc1ccc[nH]1)C(=O)NCc1ccc[nH]1
InChIInChI=1S/C12H14N4O2/c17-11(15-7-9-3-1-5-13-9)12(18)16-8-10-4-2-6-14-10/h1-6,13-14H,7-8H2,(H,15,17)(H,16,18)
InChIKeySPNANZUBUZTZFE-UHFFFAOYSA-N
MW246.27 g/mol
LogP0.28
Rot. Bonds4

About N,N'-bis(1H-pyrrol-2-ylmethyl)oxamide

N,N'-bis(1H-pyrrol-2-ylmethyl)oxamide (PubChem CID 126500406) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is N,N'-bis(1H-pyrrol-2-ylmethyl)oxamide.

Molecular Properties

Compound NameN,N'-bis(1H-pyrrol-2-ylmethyl)oxamide
PubChem CID126500406
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC NameN,N'-bis(1H-pyrrol-2-ylmethyl)oxamide
SMILESO=C(NCc1ccc[nH]1)C(=O)NCc1ccc[nH]1
InChIInChI=1S/C12H14N4O2/c17-11(15-7-9-3-1-5-13-9)12(18)16-8-10-4-2-6-14-10/h1-6,13-14H,7-8H2,(H,15,17)(H,16,18)
InChIKeySPNANZUBUZTZFE-UHFFFAOYSA-N
XLogP0.28
TPSA89.78 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 50.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N'-bis(1H-pyrrol-2-ylmethyl)oxamide?
The IUPAC name of N,N'-bis(1H-pyrrol-2-ylmethyl)oxamide (CID 126500406) is N,N'-bis(1H-pyrrol-2-ylmethyl)oxamide.
What is the SMILES notation for N,N'-bis(1H-pyrrol-2-ylmethyl)oxamide?
The canonical SMILES for N,N'-bis(1H-pyrrol-2-ylmethyl)oxamide is O=C(NCc1ccc[nH]1)C(=O)NCc1ccc[nH]1.
What is the InChIKey of N,N'-bis(1H-pyrrol-2-ylmethyl)oxamide?
The InChIKey is SPNANZUBUZTZFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2/c17-11(15-7-9-3-1-5-13-9)12(18)16-8-10-4-2-6-14-10/h1-6,13-14H,7-8H2,(H,15,17)(H,16,18).
What are the key properties of N,N'-bis(1H-pyrrol-2-ylmethyl)oxamide?
N,N'-bis(1H-pyrrol-2-ylmethyl)oxamide has a molecular weight of 246.27 g/mol, XLogP of 0.28, 4 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(1H-pyrrol-2-ylmethyl)oxamide is sourced from PubChem (CID 126500406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).