N-[2-(4-hydroxyphenyl)ethyl]-N'-(pyridin-3-ylmethyl)oxamide

C16H17N3O3 — CID 108502983

IUPACN-[2-(4-hydroxyphenyl)ethyl]-N'-(pyridin-3-ylmethyl)oxamide
SMILESO=C(NCCc1ccc(O)cc1)C(=O)NCc1cccnc1
InChIInChI=1S/C16H17N3O3/c20-14-5-3-12(4-6-14)7-9-18-15(21)16(22)19-11-13-2-1-8-17-10-13/h1-6,8,10,20H,7,9,11H2,(H,18,21)(H,19,22)
InChIKeyVAMHTMFXRLYLTP-UHFFFAOYSA-N
MW299.33 g/mol
LogP0.76
Rot. Bonds5

About N-[2-(4-hydroxyphenyl)ethyl]-N'-(pyridin-3-ylmethyl)oxamide

N-[2-(4-hydroxyphenyl)ethyl]-N'-(pyridin-3-ylmethyl)oxamide (PubChem CID 108502983) has the molecular formula C16H17N3O3 and a molecular weight of 299.33 g/mol. Its IUPAC name is N-[2-(4-hydroxyphenyl)ethyl]-N'-(pyridin-3-ylmethyl)oxamide.

Molecular Properties

Compound NameN-[2-(4-hydroxyphenyl)ethyl]-N'-(pyridin-3-ylmethyl)oxamide
PubChem CID108502983
Molecular FormulaC16H17N3O3
Molecular Weight299.33 g/mol
Exact Mass299.13
IUPAC NameN-[2-(4-hydroxyphenyl)ethyl]-N'-(pyridin-3-ylmethyl)oxamide
SMILESO=C(NCCc1ccc(O)cc1)C(=O)NCc1cccnc1
InChIInChI=1S/C16H17N3O3/c20-14-5-3-12(4-6-14)7-9-18-15(21)16(22)19-11-13-2-1-8-17-10-13/h1-6,8,10,20H,7,9,11H2,(H,18,21)(H,19,22)
InChIKeyVAMHTMFXRLYLTP-UHFFFAOYSA-N
XLogP0.76
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 50.76
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-hydroxyethyl)-N'-(pyridin-3-ylmethyl)oxamide
CID 3136535
1-(2-phenylethyl)-3-(pyridin-3-ylmethyl)urea
CID 38157149
N-(2-acetamidoethyl)-N'-(pyridin-3-ylmethyl)oxamide
CID 108506762
N'-(pyridin-3-ylmethyl)-N-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]oxamide
CID 30126689
N-[2-(2-fluorophenyl)ethyl]-N'-(pyridin-3-ylmethyl)oxamide
CID 108985083
N-butyl-N'-(pyridin-3-ylmethyl)oxamide
CID 21212895
N-(3-methoxypropyl)-N'-(pyridin-3-ylmethyl)oxamide
CID 3113992
1-(pyridin-3-ylmethyl)-3-[2-[4-(trifluoromethyl)phenyl]ethyl]urea
CID 36873268
(2S)-2-amino-3-(4-hydroxyphenyl)-N-(pyridin-3-ylmethyl)propanamide
CID 61148036
methyl 2-oxo-2-(2-pyridin-3-ylethylamino)acetate
CID 112616794
N-[3-(diethylamino)propyl]-N'-(pyridin-3-ylmethyl)oxamide
CID 108506711
(Z)-2-cyano-N-[2-(4-hydroxyphenyl)ethyl]-3-(pyridin-3-ylamino)prop-2-enamide
CID 108829283

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-hydroxyphenyl)ethyl]-N'-(pyridin-3-ylmethyl)oxamide?
The IUPAC name of N-[2-(4-hydroxyphenyl)ethyl]-N'-(pyridin-3-ylmethyl)oxamide (CID 108502983) is N-[2-(4-hydroxyphenyl)ethyl]-N'-(pyridin-3-ylmethyl)oxamide.
What is the SMILES notation for N-[2-(4-hydroxyphenyl)ethyl]-N'-(pyridin-3-ylmethyl)oxamide?
The canonical SMILES for N-[2-(4-hydroxyphenyl)ethyl]-N'-(pyridin-3-ylmethyl)oxamide is O=C(NCCc1ccc(O)cc1)C(=O)NCc1cccnc1.
What is the InChIKey of N-[2-(4-hydroxyphenyl)ethyl]-N'-(pyridin-3-ylmethyl)oxamide?
The InChIKey is VAMHTMFXRLYLTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3/c20-14-5-3-12(4-6-14)7-9-18-15(21)16(22)19-11-13-2-1-8-17-10-13/h1-6,8,10,20H,7,9,11H2,(H,18,21)(H,19,22).
What are the key properties of N-[2-(4-hydroxyphenyl)ethyl]-N'-(pyridin-3-ylmethyl)oxamide?
N-[2-(4-hydroxyphenyl)ethyl]-N'-(pyridin-3-ylmethyl)oxamide has a molecular weight of 299.33 g/mol, XLogP of 0.76, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-hydroxyphenyl)ethyl]-N'-(pyridin-3-ylmethyl)oxamide is sourced from PubChem (CID 108502983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).