N-(3,5-dimethyl-4-pyridinyl)-2-(6-methoxy-2-methylquinolin-4-yl)oxyacetamide

C20H21N3O3 — CID 155925006

IUPACN-(3,5-dimethyl-4-pyridinyl)-2-(6-methoxy-2-methylquinolin-4-yl)oxyacetamide
SMILESCOc1ccc2nc(C)cc(OCC(=O)Nc3c(C)cncc3C)c2c1
InChIInChI=1S/C20H21N3O3/c1-12-9-21-10-13(2)20(12)23-19(24)11-26-18-7-14(3)22-17-6-5-15(25-4)8-16(17)18/h5-10H,11H2,1-4H3,(H,21,23,24)
InChIKeyZCUJRAFDKSASOE-UHFFFAOYSA-N
MW351.41 g/mol
LogP3.58
Rot. Bonds5

About N-(3,5-dimethyl-4-pyridinyl)-2-(6-methoxy-2-methylquinolin-4-yl)oxyacetamide

N-(3,5-dimethyl-4-pyridinyl)-2-(6-methoxy-2-methylquinolin-4-yl)oxyacetamide (PubChem CID 155925006) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is N-(3,5-dimethyl-4-pyridinyl)-2-(6-methoxy-2-methylquinolin-4-yl)oxyacetamide.

Molecular Properties

Compound NameN-(3,5-dimethyl-4-pyridinyl)-2-(6-methoxy-2-methylquinolin-4-yl)oxyacetamide
PubChem CID155925006
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC NameN-(3,5-dimethyl-4-pyridinyl)-2-(6-methoxy-2-methylquinolin-4-yl)oxyacetamide
SMILESCOc1ccc2nc(C)cc(OCC(=O)Nc3c(C)cncc3C)c2c1
InChIInChI=1S/C20H21N3O3/c1-12-9-21-10-13(2)20(12)23-19(24)11-26-18-7-14(3)22-17-6-5-15(25-4)8-16(17)18/h5-10H,11H2,1-4H3,(H,21,23,24)
InChIKeyZCUJRAFDKSASOE-UHFFFAOYSA-N
XLogP3.58
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethyl-4-pyridinyl)-2-(6-methoxy-2-methylquinolin-4-yl)oxyacetamide?
The IUPAC name of N-(3,5-dimethyl-4-pyridinyl)-2-(6-methoxy-2-methylquinolin-4-yl)oxyacetamide (CID 155925006) is N-(3,5-dimethyl-4-pyridinyl)-2-(6-methoxy-2-methylquinolin-4-yl)oxyacetamide.
What is the SMILES notation for N-(3,5-dimethyl-4-pyridinyl)-2-(6-methoxy-2-methylquinolin-4-yl)oxyacetamide?
The canonical SMILES for N-(3,5-dimethyl-4-pyridinyl)-2-(6-methoxy-2-methylquinolin-4-yl)oxyacetamide is COc1ccc2nc(C)cc(OCC(=O)Nc3c(C)cncc3C)c2c1.
What is the InChIKey of N-(3,5-dimethyl-4-pyridinyl)-2-(6-methoxy-2-methylquinolin-4-yl)oxyacetamide?
The InChIKey is ZCUJRAFDKSASOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-12-9-21-10-13(2)20(12)23-19(24)11-26-18-7-14(3)22-17-6-5-15(25-4)8-16(17)18/h5-10H,11H2,1-4H3,(H,21,23,24).
What are the key properties of N-(3,5-dimethyl-4-pyridinyl)-2-(6-methoxy-2-methylquinolin-4-yl)oxyacetamide?
N-(3,5-dimethyl-4-pyridinyl)-2-(6-methoxy-2-methylquinolin-4-yl)oxyacetamide has a molecular weight of 351.41 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethyl-4-pyridinyl)-2-(6-methoxy-2-methylquinolin-4-yl)oxyacetamide is sourced from PubChem (CID 155925006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).