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

C11H15N3O3 — CID 44998654

IUPACN'-(2-hydroxypropyl)-N-(pyridin-3-ylmethyl)oxamide
SMILESCC(O)CNC(=O)C(=O)NCc1cccnc1
InChIInChI=1S/C11H15N3O3/c1-8(15)5-13-10(16)11(17)14-7-9-3-2-4-12-6-9/h2-4,6,8,15H,5,7H2,1H3,(H,13,16)(H,14,17)
InChIKeyKYIVAUIFTIFTSX-UHFFFAOYSA-N
MW237.26 g/mol
LogP-0.81
Rot. Bonds4

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

N'-(2-hydroxypropyl)-N-(pyridin-3-ylmethyl)oxamide (PubChem CID 44998654) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is N'-(2-hydroxypropyl)-N-(pyridin-3-ylmethyl)oxamide.

Molecular Properties

Compound NameN'-(2-hydroxypropyl)-N-(pyridin-3-ylmethyl)oxamide
PubChem CID44998654
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC NameN'-(2-hydroxypropyl)-N-(pyridin-3-ylmethyl)oxamide
SMILESCC(O)CNC(=O)C(=O)NCc1cccnc1
InChIInChI=1S/C11H15N3O3/c1-8(15)5-13-10(16)11(17)14-7-9-3-2-4-12-6-9/h2-4,6,8,15H,5,7H2,1H3,(H,13,16)(H,14,17)
InChIKeyKYIVAUIFTIFTSX-UHFFFAOYSA-N
XLogP-0.81
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 5-0.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(2S)-2-hydroxypropyl]-N'-[2-(pyridin-3-ylmethylcarbamoyl)phenyl]oxamide
CID 51815485
N-benzyl-N'-[(2S)-2-hydroxypropyl]oxamide
CID 6593599
N-(2-acetamidoethyl)-N'-(pyridin-3-ylmethyl)oxamide
CID 108506762
N-(2-hydroxyethyl)-N'-(pyridin-3-ylmethyl)oxamide
CID 3136535
N'-[(3-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)oxamide
CID 108984681
N-butyl-N'-(pyridin-3-ylmethyl)oxamide
CID 21212895
N-[2-(2-hydroxypropylamino)ethyl]-2-pyridin-3-ylacetamide
CID 113430432
N'-(2-propan-2-ylphenyl)-N-(pyridin-3-ylmethyl)oxamide
CID 108500421
N'-[1-(4-methoxyphenyl)ethyl]-N-(pyridin-3-ylmethyl)oxamide
CID 3136550
N-(4-hydroxy-2-methylpentyl)-2-pyridin-3-ylacetamide
CID 111447112
N'-[(2R)-2-(4-ethylpiperazin-1-yl)-2-pyridin-3-ylethyl]-N-(pyridin-3-ylmethyl)oxamide
CID 7087530
N-[(2S)-2-hydroxypropyl]pyridine-3-carboxamide
CID 39237258

Frequently Asked Questions

What is the IUPAC name of N'-(2-hydroxypropyl)-N-(pyridin-3-ylmethyl)oxamide?
The IUPAC name of N'-(2-hydroxypropyl)-N-(pyridin-3-ylmethyl)oxamide (CID 44998654) is N'-(2-hydroxypropyl)-N-(pyridin-3-ylmethyl)oxamide.
What is the SMILES notation for N'-(2-hydroxypropyl)-N-(pyridin-3-ylmethyl)oxamide?
The canonical SMILES for N'-(2-hydroxypropyl)-N-(pyridin-3-ylmethyl)oxamide is CC(O)CNC(=O)C(=O)NCc1cccnc1.
What is the InChIKey of N'-(2-hydroxypropyl)-N-(pyridin-3-ylmethyl)oxamide?
The InChIKey is KYIVAUIFTIFTSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-8(15)5-13-10(16)11(17)14-7-9-3-2-4-12-6-9/h2-4,6,8,15H,5,7H2,1H3,(H,13,16)(H,14,17).
What are the key properties of N'-(2-hydroxypropyl)-N-(pyridin-3-ylmethyl)oxamide?
N'-(2-hydroxypropyl)-N-(pyridin-3-ylmethyl)oxamide has a molecular weight of 237.26 g/mol, XLogP of -0.81, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-hydroxypropyl)-N-(pyridin-3-ylmethyl)oxamide is sourced from PubChem (CID 44998654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).