N'-(4-chloro-2,5-dimethoxyphenyl)-N-(pyridin-2-ylmethyl)oxamide

C16H16ClN3O4 — CID 2259133

IUPACN'-(4-chloro-2,5-dimethoxyphenyl)-N-(pyridin-2-ylmethyl)oxamide
SMILESCOc1cc(NC(=O)C(=O)NCc2ccccn2)c(OC)cc1Cl
InChIInChI=1S/C16H16ClN3O4/c1-23-13-8-12(14(24-2)7-11(13)17)20-16(22)15(21)19-9-10-5-3-4-6-18-10/h3-8H,9H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyLVPHIQKFEMVSFJ-UHFFFAOYSA-N
MW349.77 g/mol
LogP2.01
Rot. Bonds5

About N'-(4-chloro-2,5-dimethoxyphenyl)-N-(pyridin-2-ylmethyl)oxamide

N'-(4-chloro-2,5-dimethoxyphenyl)-N-(pyridin-2-ylmethyl)oxamide (PubChem CID 2259133) has the molecular formula C16H16ClN3O4 and a molecular weight of 349.77 g/mol. Its IUPAC name is N'-(4-chloro-2,5-dimethoxyphenyl)-N-(pyridin-2-ylmethyl)oxamide.

Molecular Properties

Compound NameN'-(4-chloro-2,5-dimethoxyphenyl)-N-(pyridin-2-ylmethyl)oxamide
PubChem CID2259133
Molecular FormulaC16H16ClN3O4
Molecular Weight349.77 g/mol
Exact Mass349.08
IUPAC NameN'-(4-chloro-2,5-dimethoxyphenyl)-N-(pyridin-2-ylmethyl)oxamide
SMILESCOc1cc(NC(=O)C(=O)NCc2ccccn2)c(OC)cc1Cl
InChIInChI=1S/C16H16ClN3O4/c1-23-13-8-12(14(24-2)7-11(13)17)20-16(22)15(21)19-9-10-5-3-4-6-18-10/h3-8H,9H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyLVPHIQKFEMVSFJ-UHFFFAOYSA-N
XLogP2.01
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.77
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(4-chloro-2,5-dimethoxyphenyl)-6-(pyridin-2-ylmethylamino)pyridine-3-carboxamide
CID 109157742
N'-(2,4-dichlorophenyl)-N-(pyridin-2-ylmethyl)oxamide
CID 108502784
N'-(4-chloro-2,5-dimethoxyphenyl)-N-(2-hydroxyphenyl)oxamide
CID 108514378
5-chloro-2-methoxy-4-methyl-N-(pyridin-2-ylmethyl)benzamide
CID 110762042
N-(2-tert-butylphenyl)-N'-(4-chloro-2,5-dimethoxyphenyl)oxamide
CID 108530208
N-(4-chloro-2,5-dimethoxyphenyl)-N'-(4-chloro-2-methoxy-5-methylphenyl)oxamide
CID 108532266
4-N-(3-chloro-4-methoxyphenyl)-1-N-(pyridin-2-ylmethyl)benzene-1,4-dicarboxamide
CID 109047587
N-(4-chloro-2-methoxy-5-methylphenyl)-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide
CID 109120786
ethyl 2-[[2-oxo-2-(pyridin-2-ylmethylamino)acetyl]amino]benzoate
CID 108501782
N'-(2-tert-butylphenyl)-N-(pyridin-2-ylmethyl)oxamide
CID 86919838
N'-(2-carbamoylphenyl)-N-(pyridin-2-ylmethyl)oxamide
CID 108518371
1-(4-chloro-2,5-dimethoxyphenyl)-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 113191430

Frequently Asked Questions

What is the IUPAC name of N'-(4-chloro-2,5-dimethoxyphenyl)-N-(pyridin-2-ylmethyl)oxamide?
The IUPAC name of N'-(4-chloro-2,5-dimethoxyphenyl)-N-(pyridin-2-ylmethyl)oxamide (CID 2259133) is N'-(4-chloro-2,5-dimethoxyphenyl)-N-(pyridin-2-ylmethyl)oxamide.
What is the SMILES notation for N'-(4-chloro-2,5-dimethoxyphenyl)-N-(pyridin-2-ylmethyl)oxamide?
The canonical SMILES for N'-(4-chloro-2,5-dimethoxyphenyl)-N-(pyridin-2-ylmethyl)oxamide is COc1cc(NC(=O)C(=O)NCc2ccccn2)c(OC)cc1Cl.
What is the InChIKey of N'-(4-chloro-2,5-dimethoxyphenyl)-N-(pyridin-2-ylmethyl)oxamide?
The InChIKey is LVPHIQKFEMVSFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O4/c1-23-13-8-12(14(24-2)7-11(13)17)20-16(22)15(21)19-9-10-5-3-4-6-18-10/h3-8H,9H2,1-2H3,(H,19,21)(H,20,22).
What are the key properties of N'-(4-chloro-2,5-dimethoxyphenyl)-N-(pyridin-2-ylmethyl)oxamide?
N'-(4-chloro-2,5-dimethoxyphenyl)-N-(pyridin-2-ylmethyl)oxamide has a molecular weight of 349.77 g/mol, XLogP of 2.01, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-chloro-2,5-dimethoxyphenyl)-N-(pyridin-2-ylmethyl)oxamide is sourced from PubChem (CID 2259133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).