4-(3,4-dimethoxyphenyl)-4-oxo-N-pyridin-3-ylbutanamide

C17H18N2O4 — CID 971201

IUPAC4-(3,4-dimethoxyphenyl)-4-oxo-N-pyridin-3-ylbutanamide
SMILESCOc1ccc(C(=O)CCC(=O)Nc2cccnc2)cc1OC
InChIInChI=1S/C17H18N2O4/c1-22-15-7-5-12(10-16(15)23-2)14(20)6-8-17(21)19-13-4-3-9-18-11-13/h3-5,7,9-11H,6,8H2,1-2H3,(H,19,21)
InChIKeyQDLMSIZTNBDLKM-UHFFFAOYSA-N
MW314.34 g/mol
LogP2.70
Rot. Bonds7

About 4-(3,4-dimethoxyphenyl)-4-oxo-N-pyridin-3-ylbutanamide

4-(3,4-dimethoxyphenyl)-4-oxo-N-pyridin-3-ylbutanamide (PubChem CID 971201) has the molecular formula C17H18N2O4 and a molecular weight of 314.34 g/mol. Its IUPAC name is 4-(3,4-dimethoxyphenyl)-4-oxo-N-pyridin-3-ylbutanamide.

Molecular Properties

Compound Name4-(3,4-dimethoxyphenyl)-4-oxo-N-pyridin-3-ylbutanamide
PubChem CID971201
Molecular FormulaC17H18N2O4
Molecular Weight314.34 g/mol
Exact Mass314.13
IUPAC Name4-(3,4-dimethoxyphenyl)-4-oxo-N-pyridin-3-ylbutanamide
SMILESCOc1ccc(C(=O)CCC(=O)Nc2cccnc2)cc1OC
InChIInChI=1S/C17H18N2O4/c1-22-15-7-5-12(10-16(15)23-2)14(20)6-8-17(21)19-13-4-3-9-18-11-13/h3-5,7,9-11H,6,8H2,1-2H3,(H,19,21)
InChIKeyQDLMSIZTNBDLKM-UHFFFAOYSA-N
XLogP2.70
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethoxyphenyl)-4-oxo-N-pyridin-3-ylbutanamide?
The IUPAC name of 4-(3,4-dimethoxyphenyl)-4-oxo-N-pyridin-3-ylbutanamide (CID 971201) is 4-(3,4-dimethoxyphenyl)-4-oxo-N-pyridin-3-ylbutanamide.
What is the SMILES notation for 4-(3,4-dimethoxyphenyl)-4-oxo-N-pyridin-3-ylbutanamide?
The canonical SMILES for 4-(3,4-dimethoxyphenyl)-4-oxo-N-pyridin-3-ylbutanamide is COc1ccc(C(=O)CCC(=O)Nc2cccnc2)cc1OC.
What is the InChIKey of 4-(3,4-dimethoxyphenyl)-4-oxo-N-pyridin-3-ylbutanamide?
The InChIKey is QDLMSIZTNBDLKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O4/c1-22-15-7-5-12(10-16(15)23-2)14(20)6-8-17(21)19-13-4-3-9-18-11-13/h3-5,7,9-11H,6,8H2,1-2H3,(H,19,21).
What are the key properties of 4-(3,4-dimethoxyphenyl)-4-oxo-N-pyridin-3-ylbutanamide?
4-(3,4-dimethoxyphenyl)-4-oxo-N-pyridin-3-ylbutanamide has a molecular weight of 314.34 g/mol, XLogP of 2.70, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethoxyphenyl)-4-oxo-N-pyridin-3-ylbutanamide is sourced from PubChem (CID 971201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).