4-[(6-ethoxy-2-pyridinyl)methylamino]-N,3-dimethylbenzamide

C17H21N3O2 — CID 75484554

IUPAC4-[(6-ethoxy-2-pyridinyl)methylamino]-N,3-dimethylbenzamide
SMILESCCOc1cccc(CNc2ccc(C(=O)NC)cc2C)n1
InChIInChI=1S/C17H21N3O2/c1-4-22-16-7-5-6-14(20-16)11-19-15-9-8-13(10-12(15)2)17(21)18-3/h5-10,19H,4,11H2,1-3H3,(H,18,21)
InChIKeyHGRIXKOXIUVPHN-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.76
Rot. Bonds6

About 4-[(6-ethoxy-2-pyridinyl)methylamino]-N,3-dimethylbenzamide

4-[(6-ethoxy-2-pyridinyl)methylamino]-N,3-dimethylbenzamide (PubChem CID 75484554) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is 4-[(6-ethoxy-2-pyridinyl)methylamino]-N,3-dimethylbenzamide.

Molecular Properties

Compound Name4-[(6-ethoxy-2-pyridinyl)methylamino]-N,3-dimethylbenzamide
PubChem CID75484554
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name4-[(6-ethoxy-2-pyridinyl)methylamino]-N,3-dimethylbenzamide
SMILESCCOc1cccc(CNc2ccc(C(=O)NC)cc2C)n1
InChIInChI=1S/C17H21N3O2/c1-4-22-16-7-5-6-14(20-16)11-19-15-9-8-13(10-12(15)2)17(21)18-3/h5-10,19H,4,11H2,1-3H3,(H,18,21)
InChIKeyHGRIXKOXIUVPHN-UHFFFAOYSA-N
XLogP2.76
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(6-ethoxy-2-pyridinyl)methylamino]-N,3-dimethylbenzamide?
The IUPAC name of 4-[(6-ethoxy-2-pyridinyl)methylamino]-N,3-dimethylbenzamide (CID 75484554) is 4-[(6-ethoxy-2-pyridinyl)methylamino]-N,3-dimethylbenzamide.
What is the SMILES notation for 4-[(6-ethoxy-2-pyridinyl)methylamino]-N,3-dimethylbenzamide?
The canonical SMILES for 4-[(6-ethoxy-2-pyridinyl)methylamino]-N,3-dimethylbenzamide is CCOc1cccc(CNc2ccc(C(=O)NC)cc2C)n1.
What is the InChIKey of 4-[(6-ethoxy-2-pyridinyl)methylamino]-N,3-dimethylbenzamide?
The InChIKey is HGRIXKOXIUVPHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-4-22-16-7-5-6-14(20-16)11-19-15-9-8-13(10-12(15)2)17(21)18-3/h5-10,19H,4,11H2,1-3H3,(H,18,21).
What are the key properties of 4-[(6-ethoxy-2-pyridinyl)methylamino]-N,3-dimethylbenzamide?
4-[(6-ethoxy-2-pyridinyl)methylamino]-N,3-dimethylbenzamide has a molecular weight of 299.37 g/mol, XLogP of 2.76, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-ethoxy-2-pyridinyl)methylamino]-N,3-dimethylbenzamide is sourced from PubChem (CID 75484554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).