N'-[1-(4-methoxyphenyl)ethyl]-N-(pyridin-3-ylmethyl)oxamide

C17H19N3O3 — CID 3136550

IUPACN'-[1-(4-methoxyphenyl)ethyl]-N-(pyridin-3-ylmethyl)oxamide
SMILESCOc1ccc(C(C)NC(=O)C(=O)NCc2cccnc2)cc1
InChIInChI=1S/C17H19N3O3/c1-12(14-5-7-15(23-2)8-6-14)20-17(22)16(21)19-11-13-4-3-9-18-10-13/h3-10,12H,11H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyJXLODLSZSYUJRX-UHFFFAOYSA-N
MW313.36 g/mol
LogP1.58
Rot. Bonds5

About N'-[1-(4-methoxyphenyl)ethyl]-N-(pyridin-3-ylmethyl)oxamide

N'-[1-(4-methoxyphenyl)ethyl]-N-(pyridin-3-ylmethyl)oxamide (PubChem CID 3136550) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is N'-[1-(4-methoxyphenyl)ethyl]-N-(pyridin-3-ylmethyl)oxamide.

Molecular Properties

Compound NameN'-[1-(4-methoxyphenyl)ethyl]-N-(pyridin-3-ylmethyl)oxamide
PubChem CID3136550
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC NameN'-[1-(4-methoxyphenyl)ethyl]-N-(pyridin-3-ylmethyl)oxamide
SMILESCOc1ccc(C(C)NC(=O)C(=O)NCc2cccnc2)cc1
InChIInChI=1S/C17H19N3O3/c1-12(14-5-7-15(23-2)8-6-14)20-17(22)16(21)19-11-13-4-3-9-18-10-13/h3-10,12H,11H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyJXLODLSZSYUJRX-UHFFFAOYSA-N
XLogP1.58
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 51.58
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

1-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)ethanamine;oxalic acid
CID 17382607
N'-[1-(4-methoxyphenyl)ethyl]-N-[(4-methylphenyl)methyl]oxamide
CID 108510275
3-(4-methoxyphenyl)-3-phenyl-N-(pyridin-3-ylmethyl)propanamide
CID 45194858
3-acetamido-3-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)propanamide
CID 78805890
N'-(2-hydroxypropyl)-N-(pyridin-3-ylmethyl)oxamide
CID 44998654
1-[(1R)-1-phenylethyl]-3-(pyridin-3-ylmethyl)urea
CID 9115545
1-[1-(4-bromophenyl)ethyl]-3-(pyridin-3-ylmethyl)urea
CID 47014437
N-[(4-methoxyphenyl)methyl]-2-[[(1S)-1-pyridin-3-ylethyl]amino]acetamide
CID 97347952
N-(2,2-dimethoxyethyl)-N'-[1-(4-methoxyphenyl)ethyl]oxamide
CID 108510377
methyl 3-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]-3-pyridin-3-ylpropanoate
CID 15544536
(2S)-2-[(4-methoxyphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)propanamide
CID 24538493
(Z)-3-(4-methoxyphenyl)-2-phenyl-N-(pyridin-3-ylmethyl)prop-2-enamide
CID 749217

Frequently Asked Questions

What is the IUPAC name of N'-[1-(4-methoxyphenyl)ethyl]-N-(pyridin-3-ylmethyl)oxamide?
The IUPAC name of N'-[1-(4-methoxyphenyl)ethyl]-N-(pyridin-3-ylmethyl)oxamide (CID 3136550) is N'-[1-(4-methoxyphenyl)ethyl]-N-(pyridin-3-ylmethyl)oxamide.
What is the SMILES notation for N'-[1-(4-methoxyphenyl)ethyl]-N-(pyridin-3-ylmethyl)oxamide?
The canonical SMILES for N'-[1-(4-methoxyphenyl)ethyl]-N-(pyridin-3-ylmethyl)oxamide is COc1ccc(C(C)NC(=O)C(=O)NCc2cccnc2)cc1.
What is the InChIKey of N'-[1-(4-methoxyphenyl)ethyl]-N-(pyridin-3-ylmethyl)oxamide?
The InChIKey is JXLODLSZSYUJRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3/c1-12(14-5-7-15(23-2)8-6-14)20-17(22)16(21)19-11-13-4-3-9-18-10-13/h3-10,12H,11H2,1-2H3,(H,19,21)(H,20,22).
What are the key properties of N'-[1-(4-methoxyphenyl)ethyl]-N-(pyridin-3-ylmethyl)oxamide?
N'-[1-(4-methoxyphenyl)ethyl]-N-(pyridin-3-ylmethyl)oxamide has a molecular weight of 313.36 g/mol, XLogP of 1.58, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(4-methoxyphenyl)ethyl]-N-(pyridin-3-ylmethyl)oxamide is sourced from PubChem (CID 3136550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).