N'-propan-2-yl-N-(pyridin-2-ylmethyl)oxamide

C11H15N3O2 — CID 2053858

IUPACN'-propan-2-yl-N-(pyridin-2-ylmethyl)oxamide
SMILESCC(C)NC(=O)C(=O)NCc1ccccn1
InChIInChI=1S/C11H15N3O2/c1-8(2)14-11(16)10(15)13-7-9-5-3-4-6-12-9/h3-6,8H,7H2,1-2H3,(H,13,15)(H,14,16)
InChIKeyNRUGUAVYPXBISW-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.22
Rot. Bonds3

About N'-propan-2-yl-N-(pyridin-2-ylmethyl)oxamide

N'-propan-2-yl-N-(pyridin-2-ylmethyl)oxamide (PubChem CID 2053858) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is N'-propan-2-yl-N-(pyridin-2-ylmethyl)oxamide.

Molecular Properties

Compound NameN'-propan-2-yl-N-(pyridin-2-ylmethyl)oxamide
PubChem CID2053858
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC NameN'-propan-2-yl-N-(pyridin-2-ylmethyl)oxamide
SMILESCC(C)NC(=O)C(=O)NCc1ccccn1
InChIInChI=1S/C11H15N3O2/c1-8(2)14-11(16)10(15)13-7-9-5-3-4-6-12-9/h3-6,8H,7H2,1-2H3,(H,13,15)(H,14,16)
InChIKeyNRUGUAVYPXBISW-UHFFFAOYSA-N
XLogP0.22
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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'-propan-2-yl-N-(pyridin-2-ylmethyl)oxamide?
The IUPAC name of N'-propan-2-yl-N-(pyridin-2-ylmethyl)oxamide (CID 2053858) is N'-propan-2-yl-N-(pyridin-2-ylmethyl)oxamide.
What is the SMILES notation for N'-propan-2-yl-N-(pyridin-2-ylmethyl)oxamide?
The canonical SMILES for N'-propan-2-yl-N-(pyridin-2-ylmethyl)oxamide is CC(C)NC(=O)C(=O)NCc1ccccn1.
What is the InChIKey of N'-propan-2-yl-N-(pyridin-2-ylmethyl)oxamide?
The InChIKey is NRUGUAVYPXBISW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-8(2)14-11(16)10(15)13-7-9-5-3-4-6-12-9/h3-6,8H,7H2,1-2H3,(H,13,15)(H,14,16).
What are the key properties of N'-propan-2-yl-N-(pyridin-2-ylmethyl)oxamide?
N'-propan-2-yl-N-(pyridin-2-ylmethyl)oxamide has a molecular weight of 221.26 g/mol, XLogP of 0.22, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-propan-2-yl-N-(pyridin-2-ylmethyl)oxamide is sourced from PubChem (CID 2053858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).