N-(3-hydroxypropyl)-N'-(pyridin-2-ylmethyl)oxamide

C11H15N3O3 — CID 2849922

IUPACN-(3-hydroxypropyl)-N'-(pyridin-2-ylmethyl)oxamide
SMILESO=C(NCCCO)C(=O)NCc1ccccn1
InChIInChI=1S/C11H15N3O3/c15-7-3-6-13-10(16)11(17)14-8-9-4-1-2-5-12-9/h1-2,4-5,15H,3,6-8H2,(H,13,16)(H,14,17)
InChIKeyAXUJOSRNBLNROU-UHFFFAOYSA-N
MW237.26 g/mol
LogP-0.80
Rot. Bonds5

About N-(3-hydroxypropyl)-N'-(pyridin-2-ylmethyl)oxamide

N-(3-hydroxypropyl)-N'-(pyridin-2-ylmethyl)oxamide (PubChem CID 2849922) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is N-(3-hydroxypropyl)-N'-(pyridin-2-ylmethyl)oxamide.

Molecular Properties

Compound NameN-(3-hydroxypropyl)-N'-(pyridin-2-ylmethyl)oxamide
PubChem CID2849922
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC NameN-(3-hydroxypropyl)-N'-(pyridin-2-ylmethyl)oxamide
SMILESO=C(NCCCO)C(=O)NCc1ccccn1
InChIInChI=1S/C11H15N3O3/c15-7-3-6-13-10(16)11(17)14-8-9-4-1-2-5-12-9/h1-2,4-5,15H,3,6-8H2,(H,13,16)(H,14,17)
InChIKeyAXUJOSRNBLNROU-UHFFFAOYSA-N
XLogP-0.80
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 5-0.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxypropyl)-N'-(pyridin-2-ylmethyl)oxamide?
The IUPAC name of N-(3-hydroxypropyl)-N'-(pyridin-2-ylmethyl)oxamide (CID 2849922) is N-(3-hydroxypropyl)-N'-(pyridin-2-ylmethyl)oxamide.
What is the SMILES notation for N-(3-hydroxypropyl)-N'-(pyridin-2-ylmethyl)oxamide?
The canonical SMILES for N-(3-hydroxypropyl)-N'-(pyridin-2-ylmethyl)oxamide is O=C(NCCCO)C(=O)NCc1ccccn1.
What is the InChIKey of N-(3-hydroxypropyl)-N'-(pyridin-2-ylmethyl)oxamide?
The InChIKey is AXUJOSRNBLNROU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c15-7-3-6-13-10(16)11(17)14-8-9-4-1-2-5-12-9/h1-2,4-5,15H,3,6-8H2,(H,13,16)(H,14,17).
What are the key properties of N-(3-hydroxypropyl)-N'-(pyridin-2-ylmethyl)oxamide?
N-(3-hydroxypropyl)-N'-(pyridin-2-ylmethyl)oxamide has a molecular weight of 237.26 g/mol, XLogP of -0.80, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxypropyl)-N'-(pyridin-2-ylmethyl)oxamide is sourced from PubChem (CID 2849922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).