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

C17H19N3O3 — CID 2272217

IUPACN-[2-(4-methoxyphenyl)ethyl]-N'-(pyridin-4-ylmethyl)oxamide
SMILESCOc1ccc(CCNC(=O)C(=O)NCc2ccncc2)cc1
InChIInChI=1S/C17H19N3O3/c1-23-15-4-2-13(3-5-15)8-11-19-16(21)17(22)20-12-14-6-9-18-10-7-14/h2-7,9-10H,8,11-12H2,1H3,(H,19,21)(H,20,22)
InChIKeyCCNUNWDTVRVERG-UHFFFAOYSA-N
MW313.36 g/mol
LogP1.07
Rot. Bonds6

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

N-[2-(4-methoxyphenyl)ethyl]-N'-(pyridin-4-ylmethyl)oxamide (PubChem CID 2272217) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)ethyl]-N'-(pyridin-4-ylmethyl)oxamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)ethyl]-N'-(pyridin-4-ylmethyl)oxamide
PubChem CID2272217
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC NameN-[2-(4-methoxyphenyl)ethyl]-N'-(pyridin-4-ylmethyl)oxamide
SMILESCOc1ccc(CCNC(=O)C(=O)NCc2ccncc2)cc1
InChIInChI=1S/C17H19N3O3/c1-23-15-4-2-13(3-5-15)8-11-19-16(21)17(22)20-12-14-6-9-18-10-7-14/h2-7,9-10H,8,11-12H2,1H3,(H,19,21)(H,20,22)
InChIKeyCCNUNWDTVRVERG-UHFFFAOYSA-N
XLogP1.07
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(furan-3-yl)ethyl]-N'-[(4-methoxyphenyl)methyl]oxamide
CID 90558497
N-(2-methoxyethyl)-N'-(pyridin-4-ylmethyl)oxamide
CID 5077077
N-[2-(4-methoxyphenyl)ethyl]-N'-[(3-methylphenyl)methyl]oxamide
CID 108984688
N-[2-[4-(diethylsulfamoyl)phenyl]ethyl]-N'-[(4-methoxyphenyl)methyl]oxamide
CID 30126544
N'-[2-(dimethylamino)ethyl]-N-[2-(4-methoxyphenyl)ethyl]oxamide
CID 44996184
N-(3-chloropropyl)-N'-[(4-methoxyphenyl)methyl]oxamide
CID 108508151
6-[2-(4-methoxyphenyl)ethylamino]-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 109158114
N-[2-(4-methoxyphenyl)ethyl]-5-(pyridin-4-ylmethylamino)pyrazine-2-carboxamide
CID 109283647
2-N-[(4-methoxyphenyl)methyl]-6-N-(pyridin-4-ylmethyl)pyridine-2,6-dicarboxamide
CID 109098007
N-[2-(4-methoxyphenyl)ethyl]-2-methyl-6-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
CID 109371210
(E)-N-[(4-methoxyphenyl)methyl]-2-methylbut-2-enamide
CID 134086963
N'-(2,2-dimethoxyethyl)-N-[2-(4-methoxyphenyl)ethyl]oxamide
CID 44997779

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-N'-(pyridin-4-ylmethyl)oxamide?
The IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-N'-(pyridin-4-ylmethyl)oxamide (CID 2272217) is N-[2-(4-methoxyphenyl)ethyl]-N'-(pyridin-4-ylmethyl)oxamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)ethyl]-N'-(pyridin-4-ylmethyl)oxamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)ethyl]-N'-(pyridin-4-ylmethyl)oxamide is COc1ccc(CCNC(=O)C(=O)NCc2ccncc2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)ethyl]-N'-(pyridin-4-ylmethyl)oxamide?
The InChIKey is CCNUNWDTVRVERG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3/c1-23-15-4-2-13(3-5-15)8-11-19-16(21)17(22)20-12-14-6-9-18-10-7-14/h2-7,9-10H,8,11-12H2,1H3,(H,19,21)(H,20,22).
What are the key properties of N-[2-(4-methoxyphenyl)ethyl]-N'-(pyridin-4-ylmethyl)oxamide?
N-[2-(4-methoxyphenyl)ethyl]-N'-(pyridin-4-ylmethyl)oxamide has a molecular weight of 313.36 g/mol, XLogP of 1.07, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)ethyl]-N'-(pyridin-4-ylmethyl)oxamide is sourced from PubChem (CID 2272217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).