N-[2-(4-methoxyphenoxy)ethyl]-N'-pyridin-3-yloxamide

C16H17N3O4 — CID 108526026

IUPACN-[2-(4-methoxyphenoxy)ethyl]-N'-pyridin-3-yloxamide
SMILESCOc1ccc(OCCNC(=O)C(=O)Nc2cccnc2)cc1
InChIInChI=1S/C16H17N3O4/c1-22-13-4-6-14(7-5-13)23-10-9-18-15(20)16(21)19-12-3-2-8-17-11-12/h2-8,11H,9-10H2,1H3,(H,18,20)(H,19,21)
InChIKeyIKKKEPIBLDQPDT-UHFFFAOYSA-N
MW315.33 g/mol
LogP1.22
Rot. Bonds6

About N-[2-(4-methoxyphenoxy)ethyl]-N'-pyridin-3-yloxamide

N-[2-(4-methoxyphenoxy)ethyl]-N'-pyridin-3-yloxamide (PubChem CID 108526026) has the molecular formula C16H17N3O4 and a molecular weight of 315.33 g/mol. Its IUPAC name is N-[2-(4-methoxyphenoxy)ethyl]-N'-pyridin-3-yloxamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenoxy)ethyl]-N'-pyridin-3-yloxamide
PubChem CID108526026
Molecular FormulaC16H17N3O4
Molecular Weight315.33 g/mol
Exact Mass315.12
IUPAC NameN-[2-(4-methoxyphenoxy)ethyl]-N'-pyridin-3-yloxamide
SMILESCOc1ccc(OCCNC(=O)C(=O)Nc2cccnc2)cc1
InChIInChI=1S/C16H17N3O4/c1-22-13-4-6-14(7-5-13)23-10-9-18-15(20)16(21)19-12-3-2-8-17-11-12/h2-8,11H,9-10H2,1H3,(H,18,20)(H,19,21)
InChIKeyIKKKEPIBLDQPDT-UHFFFAOYSA-N
XLogP1.22
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-(4-tert-butylphenyl)-N-[2-(4-methoxyphenoxy)ethyl]oxamide
CID 108529800
N-[2-(4-methoxyphenoxy)ethyl]-4-oxo-4-pyridin-3-ylbutanamide
CID 110415100
N-(cyanomethyl)-N'-pyridin-3-yloxamide
CID 43315640
N'-(2-ethylphenyl)-N-[2-(4-methoxyphenoxy)ethyl]oxamide
CID 108530359
N-[3-(diethylamino)propyl]-N'-pyridin-3-yloxamide
CID 47333747
N-(4-methoxyphenyl)-2-[(R)-[2-oxo-2-(pyridin-3-ylamino)ethyl]sulfinyl]acetamide
CID 51552612
2-[[ethylamino-[2-(4-methylphenoxy)ethylamino]methylidene]amino]-N-pyridin-3-ylacetamide
CID 111276475
1-[(1R)-2-hydroxy-1-(4-methoxyphenyl)ethyl]-3-pyridin-3-ylurea
CID 97185687
N-[2-(4-methoxyphenoxy)ethyl]-N'-prop-2-enyloxamide
CID 108526449
N-[2-(4-methoxyphenoxy)ethyl]pyridine-4-carboxamide
CID 27173434
1-[2-(4-chlorophenoxy)ethyl]-1-methyl-3-pyridin-3-ylurea
CID 18101732
N'-(1-hydroxy-2-methylpropan-2-yl)-N-[2-(4-methoxyphenoxy)ethyl]oxamide
CID 108531227

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenoxy)ethyl]-N'-pyridin-3-yloxamide?
The IUPAC name of N-[2-(4-methoxyphenoxy)ethyl]-N'-pyridin-3-yloxamide (CID 108526026) is N-[2-(4-methoxyphenoxy)ethyl]-N'-pyridin-3-yloxamide.
What is the SMILES notation for N-[2-(4-methoxyphenoxy)ethyl]-N'-pyridin-3-yloxamide?
The canonical SMILES for N-[2-(4-methoxyphenoxy)ethyl]-N'-pyridin-3-yloxamide is COc1ccc(OCCNC(=O)C(=O)Nc2cccnc2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenoxy)ethyl]-N'-pyridin-3-yloxamide?
The InChIKey is IKKKEPIBLDQPDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O4/c1-22-13-4-6-14(7-5-13)23-10-9-18-15(20)16(21)19-12-3-2-8-17-11-12/h2-8,11H,9-10H2,1H3,(H,18,20)(H,19,21).
What are the key properties of N-[2-(4-methoxyphenoxy)ethyl]-N'-pyridin-3-yloxamide?
N-[2-(4-methoxyphenoxy)ethyl]-N'-pyridin-3-yloxamide has a molecular weight of 315.33 g/mol, XLogP of 1.22, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenoxy)ethyl]-N'-pyridin-3-yloxamide is sourced from PubChem (CID 108526026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).