N,N'-bis(pyridin-4-ylmethyl)oxamide

C14H14N4O2 — CID 3121386

IUPACN,N'-bis(pyridin-4-ylmethyl)oxamide
SMILESO=C(NCc1ccncc1)C(=O)NCc1ccncc1
InChIInChI=1S/C14H14N4O2/c19-13(17-9-11-1-5-15-6-2-11)14(20)18-10-12-3-7-16-8-4-12/h1-8H,9-10H2,(H,17,19)(H,18,20)
InChIKeyIMFIKLLSTFRMNN-UHFFFAOYSA-N
MW270.29 g/mol
LogP0.41
Rot. Bonds4

About N,N'-bis(pyridin-4-ylmethyl)oxamide

N,N'-bis(pyridin-4-ylmethyl)oxamide (PubChem CID 3121386) has the molecular formula C14H14N4O2 and a molecular weight of 270.29 g/mol. Its IUPAC name is N,N'-bis(pyridin-4-ylmethyl)oxamide.

Molecular Properties

Compound NameN,N'-bis(pyridin-4-ylmethyl)oxamide
PubChem CID3121386
Molecular FormulaC14H14N4O2
Molecular Weight270.29 g/mol
Exact Mass270.11
IUPAC NameN,N'-bis(pyridin-4-ylmethyl)oxamide
SMILESO=C(NCc1ccncc1)C(=O)NCc1ccncc1
InChIInChI=1S/C14H14N4O2/c19-13(17-9-11-1-5-15-6-2-11)14(20)18-10-12-3-7-16-8-4-12/h1-8H,9-10H2,(H,17,19)(H,18,20)
InChIKeyIMFIKLLSTFRMNN-UHFFFAOYSA-N
XLogP0.41
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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(pyridin-4-ylmethyl)oxamide?
The IUPAC name of N,N'-bis(pyridin-4-ylmethyl)oxamide (CID 3121386) is N,N'-bis(pyridin-4-ylmethyl)oxamide.
What is the SMILES notation for N,N'-bis(pyridin-4-ylmethyl)oxamide?
The canonical SMILES for N,N'-bis(pyridin-4-ylmethyl)oxamide is O=C(NCc1ccncc1)C(=O)NCc1ccncc1.
What is the InChIKey of N,N'-bis(pyridin-4-ylmethyl)oxamide?
The InChIKey is IMFIKLLSTFRMNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2/c19-13(17-9-11-1-5-15-6-2-11)14(20)18-10-12-3-7-16-8-4-12/h1-8H,9-10H2,(H,17,19)(H,18,20).
What are the key properties of N,N'-bis(pyridin-4-ylmethyl)oxamide?
N,N'-bis(pyridin-4-ylmethyl)oxamide has a molecular weight of 270.29 g/mol, XLogP of 0.41, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(pyridin-4-ylmethyl)oxamide is sourced from PubChem (CID 3121386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).