N'-(5-chloro-2-pyridinyl)-N-[2-(4-methoxyphenyl)ethyl]oxamide

C16H16ClN3O3 — CID 44996135

IUPACN'-(5-chloro-2-pyridinyl)-N-[2-(4-methoxyphenyl)ethyl]oxamide
SMILESCOc1ccc(CCNC(=O)C(=O)Nc2ccc(Cl)cn2)cc1
InChIInChI=1S/C16H16ClN3O3/c1-23-13-5-2-11(3-6-13)8-9-18-15(21)16(22)20-14-7-4-12(17)10-19-14/h2-7,10H,8-9H2,1H3,(H,18,21)(H,19,20,22)
InChIKeyUYLICYMAQRIQRR-UHFFFAOYSA-N
MW333.78 g/mol
LogP2.04
Rot. Bonds5

About N'-(5-chloro-2-pyridinyl)-N-[2-(4-methoxyphenyl)ethyl]oxamide

N'-(5-chloro-2-pyridinyl)-N-[2-(4-methoxyphenyl)ethyl]oxamide (PubChem CID 44996135) has the molecular formula C16H16ClN3O3 and a molecular weight of 333.78 g/mol. Its IUPAC name is N'-(5-chloro-2-pyridinyl)-N-[2-(4-methoxyphenyl)ethyl]oxamide.

Molecular Properties

Compound NameN'-(5-chloro-2-pyridinyl)-N-[2-(4-methoxyphenyl)ethyl]oxamide
PubChem CID44996135
Molecular FormulaC16H16ClN3O3
Molecular Weight333.78 g/mol
Exact Mass333.09
IUPAC NameN'-(5-chloro-2-pyridinyl)-N-[2-(4-methoxyphenyl)ethyl]oxamide
SMILESCOc1ccc(CCNC(=O)C(=O)Nc2ccc(Cl)cn2)cc1
InChIInChI=1S/C16H16ClN3O3/c1-23-13-5-2-11(3-6-13)8-9-18-15(21)16(22)20-14-7-4-12(17)10-19-14/h2-7,10H,8-9H2,1H3,(H,18,21)(H,19,20,22)
InChIKeyUYLICYMAQRIQRR-UHFFFAOYSA-N
XLogP2.04
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.78
LogP ≤ 52.04
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-pyridinyl)-N-[2-(4-methoxyphenyl)ethyl]oxamide?
The IUPAC name of N'-(5-chloro-2-pyridinyl)-N-[2-(4-methoxyphenyl)ethyl]oxamide (CID 44996135) is N'-(5-chloro-2-pyridinyl)-N-[2-(4-methoxyphenyl)ethyl]oxamide.
What is the SMILES notation for N'-(5-chloro-2-pyridinyl)-N-[2-(4-methoxyphenyl)ethyl]oxamide?
The canonical SMILES for N'-(5-chloro-2-pyridinyl)-N-[2-(4-methoxyphenyl)ethyl]oxamide is COc1ccc(CCNC(=O)C(=O)Nc2ccc(Cl)cn2)cc1.
What is the InChIKey of N'-(5-chloro-2-pyridinyl)-N-[2-(4-methoxyphenyl)ethyl]oxamide?
The InChIKey is UYLICYMAQRIQRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O3/c1-23-13-5-2-11(3-6-13)8-9-18-15(21)16(22)20-14-7-4-12(17)10-19-14/h2-7,10H,8-9H2,1H3,(H,18,21)(H,19,20,22).
What are the key properties of N'-(5-chloro-2-pyridinyl)-N-[2-(4-methoxyphenyl)ethyl]oxamide?
N'-(5-chloro-2-pyridinyl)-N-[2-(4-methoxyphenyl)ethyl]oxamide has a molecular weight of 333.78 g/mol, XLogP of 2.04, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-chloro-2-pyridinyl)-N-[2-(4-methoxyphenyl)ethyl]oxamide is sourced from PubChem (CID 44996135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).