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

C15H14ClN3O3 — CID 2217964

IUPACN'-(5-chloro-2-methoxyphenyl)-N-(pyridin-4-ylmethyl)oxamide
SMILESCOc1ccc(Cl)cc1NC(=O)C(=O)NCc1ccncc1
InChIInChI=1S/C15H14ClN3O3/c1-22-13-3-2-11(16)8-12(13)19-15(21)14(20)18-9-10-4-6-17-7-5-10/h2-8H,9H2,1H3,(H,18,20)(H,19,21)
InChIKeyFBTDJVMMGHRZSW-UHFFFAOYSA-N
MW319.75 g/mol
LogP2.00
Rot. Bonds4

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

N'-(5-chloro-2-methoxyphenyl)-N-(pyridin-4-ylmethyl)oxamide (PubChem CID 2217964) has the molecular formula C15H14ClN3O3 and a molecular weight of 319.75 g/mol. Its IUPAC name is N'-(5-chloro-2-methoxyphenyl)-N-(pyridin-4-ylmethyl)oxamide.

Molecular Properties

Compound NameN'-(5-chloro-2-methoxyphenyl)-N-(pyridin-4-ylmethyl)oxamide
PubChem CID2217964
Molecular FormulaC15H14ClN3O3
Molecular Weight319.75 g/mol
Exact Mass319.07
IUPAC NameN'-(5-chloro-2-methoxyphenyl)-N-(pyridin-4-ylmethyl)oxamide
SMILESCOc1ccc(Cl)cc1NC(=O)C(=O)NCc1ccncc1
InChIInChI=1S/C15H14ClN3O3/c1-22-13-3-2-11(16)8-12(13)19-15(21)14(20)18-9-10-4-6-17-7-5-10/h2-8H,9H2,1H3,(H,18,20)(H,19,21)
InChIKeyFBTDJVMMGHRZSW-UHFFFAOYSA-N
XLogP2.00
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.75
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-(5-chloro-2-methoxyphenyl)-N-(pyridin-4-ylmethyl)oxamide?
The IUPAC name of N'-(5-chloro-2-methoxyphenyl)-N-(pyridin-4-ylmethyl)oxamide (CID 2217964) is N'-(5-chloro-2-methoxyphenyl)-N-(pyridin-4-ylmethyl)oxamide.
What is the SMILES notation for N'-(5-chloro-2-methoxyphenyl)-N-(pyridin-4-ylmethyl)oxamide?
The canonical SMILES for N'-(5-chloro-2-methoxyphenyl)-N-(pyridin-4-ylmethyl)oxamide is COc1ccc(Cl)cc1NC(=O)C(=O)NCc1ccncc1.
What is the InChIKey of N'-(5-chloro-2-methoxyphenyl)-N-(pyridin-4-ylmethyl)oxamide?
The InChIKey is FBTDJVMMGHRZSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3O3/c1-22-13-3-2-11(16)8-12(13)19-15(21)14(20)18-9-10-4-6-17-7-5-10/h2-8H,9H2,1H3,(H,18,20)(H,19,21).
What are the key properties of N'-(5-chloro-2-methoxyphenyl)-N-(pyridin-4-ylmethyl)oxamide?
N'-(5-chloro-2-methoxyphenyl)-N-(pyridin-4-ylmethyl)oxamide has a molecular weight of 319.75 g/mol, XLogP of 2.00, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-chloro-2-methoxyphenyl)-N-(pyridin-4-ylmethyl)oxamide is sourced from PubChem (CID 2217964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).