3-(3,4-dimethoxyphenyl)-N-(6-methoxy-3-pyridinyl)propanamide

C17H20N2O4 — CID 4794176

IUPAC3-(3,4-dimethoxyphenyl)-N-(6-methoxy-3-pyridinyl)propanamide
SMILESCOc1ccc(NC(=O)CCc2ccc(OC)c(OC)c2)cn1
InChIInChI=1S/C17H20N2O4/c1-21-14-7-4-12(10-15(14)22-2)5-8-16(20)19-13-6-9-17(23-3)18-11-13/h4,6-7,9-11H,5,8H2,1-3H3,(H,19,20)
InChIKeyUGBMUCROTPCDKM-UHFFFAOYSA-N
MW316.36 g/mol
LogP2.68
Rot. Bonds7

About 3-(3,4-dimethoxyphenyl)-N-(6-methoxy-3-pyridinyl)propanamide

3-(3,4-dimethoxyphenyl)-N-(6-methoxy-3-pyridinyl)propanamide (PubChem CID 4794176) has the molecular formula C17H20N2O4 and a molecular weight of 316.36 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)-N-(6-methoxy-3-pyridinyl)propanamide.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)-N-(6-methoxy-3-pyridinyl)propanamide
PubChem CID4794176
Molecular FormulaC17H20N2O4
Molecular Weight316.36 g/mol
Exact Mass316.14
IUPAC Name3-(3,4-dimethoxyphenyl)-N-(6-methoxy-3-pyridinyl)propanamide
SMILESCOc1ccc(NC(=O)CCc2ccc(OC)c(OC)c2)cn1
InChIInChI=1S/C17H20N2O4/c1-21-14-7-4-12(10-15(14)22-2)5-8-16(20)19-13-6-9-17(23-3)18-11-13/h4,6-7,9-11H,5,8H2,1-3H3,(H,19,20)
InChIKeyUGBMUCROTPCDKM-UHFFFAOYSA-N
XLogP2.68
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)-N-(6-methoxy-3-pyridinyl)propanamide?
The IUPAC name of 3-(3,4-dimethoxyphenyl)-N-(6-methoxy-3-pyridinyl)propanamide (CID 4794176) is 3-(3,4-dimethoxyphenyl)-N-(6-methoxy-3-pyridinyl)propanamide.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)-N-(6-methoxy-3-pyridinyl)propanamide?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)-N-(6-methoxy-3-pyridinyl)propanamide is COc1ccc(NC(=O)CCc2ccc(OC)c(OC)c2)cn1.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)-N-(6-methoxy-3-pyridinyl)propanamide?
The InChIKey is UGBMUCROTPCDKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4/c1-21-14-7-4-12(10-15(14)22-2)5-8-16(20)19-13-6-9-17(23-3)18-11-13/h4,6-7,9-11H,5,8H2,1-3H3,(H,19,20).
What are the key properties of 3-(3,4-dimethoxyphenyl)-N-(6-methoxy-3-pyridinyl)propanamide?
3-(3,4-dimethoxyphenyl)-N-(6-methoxy-3-pyridinyl)propanamide has a molecular weight of 316.36 g/mol, XLogP of 2.68, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxyphenyl)-N-(6-methoxy-3-pyridinyl)propanamide is sourced from PubChem (CID 4794176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).