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

C10H13N3O3 — CID 3136535

IUPACN-(2-hydroxyethyl)-N'-(pyridin-3-ylmethyl)oxamide
SMILESO=C(NCCO)C(=O)NCc1cccnc1
InChIInChI=1S/C10H13N3O3/c14-5-4-12-9(15)10(16)13-7-8-2-1-3-11-6-8/h1-3,6,14H,4-5,7H2,(H,12,15)(H,13,16)
InChIKeyIXLQSGQIGWUJTJ-UHFFFAOYSA-N
MW223.23 g/mol
LogP-1.19
Rot. Bonds4

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

N-(2-hydroxyethyl)-N'-(pyridin-3-ylmethyl)oxamide (PubChem CID 3136535) has the molecular formula C10H13N3O3 and a molecular weight of 223.23 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-N'-(pyridin-3-ylmethyl)oxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-N'-(pyridin-3-ylmethyl)oxamide
PubChem CID3136535
Molecular FormulaC10H13N3O3
Molecular Weight223.23 g/mol
Exact Mass223.10
IUPAC NameN-(2-hydroxyethyl)-N'-(pyridin-3-ylmethyl)oxamide
SMILESO=C(NCCO)C(=O)NCc1cccnc1
InChIInChI=1S/C10H13N3O3/c14-5-4-12-9(15)10(16)13-7-8-2-1-3-11-6-8/h1-3,6,14H,4-5,7H2,(H,12,15)(H,13,16)
InChIKeyIXLQSGQIGWUJTJ-UHFFFAOYSA-N
XLogP-1.19
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 5-1.19
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-(2-acetamidoethyl)-N'-(pyridin-3-ylmethyl)oxamide
CID 108506762
N-butyl-N'-(pyridin-3-ylmethyl)oxamide
CID 21212895
N-[2-(4-hydroxyphenyl)ethyl]-N'-(pyridin-3-ylmethyl)oxamide
CID 108502983
N-[3-(diethylamino)propyl]-N'-(pyridin-3-ylmethyl)oxamide
CID 108506711
N-(3-methoxypropyl)-N'-(pyridin-3-ylmethyl)oxamide
CID 3113992
N-[2-(2-fluorophenyl)ethyl]-N'-(pyridin-3-ylmethyl)oxamide
CID 108985083
N'-[(3-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)oxamide
CID 108984681
N'-(2-hydroxypropyl)-N-(pyridin-3-ylmethyl)oxamide
CID 44998654
N-(pyridin-3-ylmethyl)carbamate
CID 19082872
N'-[(2-chlorophenyl)methyl]-N-(pyridin-3-ylmethyl)oxamide
CID 44998655
N'-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)oxamide
CID 2244301
2-(3,4-dimethylphenyl)-2-oxo-N-(pyridin-3-ylmethyl)acetamide
CID 82123368

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-N'-(pyridin-3-ylmethyl)oxamide?
The IUPAC name of N-(2-hydroxyethyl)-N'-(pyridin-3-ylmethyl)oxamide (CID 3136535) is N-(2-hydroxyethyl)-N'-(pyridin-3-ylmethyl)oxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-N'-(pyridin-3-ylmethyl)oxamide?
The canonical SMILES for N-(2-hydroxyethyl)-N'-(pyridin-3-ylmethyl)oxamide is O=C(NCCO)C(=O)NCc1cccnc1.
What is the InChIKey of N-(2-hydroxyethyl)-N'-(pyridin-3-ylmethyl)oxamide?
The InChIKey is IXLQSGQIGWUJTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3/c14-5-4-12-9(15)10(16)13-7-8-2-1-3-11-6-8/h1-3,6,14H,4-5,7H2,(H,12,15)(H,13,16).
What are the key properties of N-(2-hydroxyethyl)-N'-(pyridin-3-ylmethyl)oxamide?
N-(2-hydroxyethyl)-N'-(pyridin-3-ylmethyl)oxamide has a molecular weight of 223.23 g/mol, XLogP of -1.19, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-N'-(pyridin-3-ylmethyl)oxamide is sourced from PubChem (CID 3136535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).