3-methoxy-N-[4-(pyridine-4-carbonyl)phenyl]benzamide

C20H16N2O3 — CID 713115

IUPAC3-methoxy-N-[4-(pyridine-4-carbonyl)phenyl]benzamide
SMILESCOc1cccc(C(=O)Nc2ccc(C(=O)c3ccncc3)cc2)c1
InChIInChI=1S/C20H16N2O3/c1-25-18-4-2-3-16(13-18)20(24)22-17-7-5-14(6-8-17)19(23)15-9-11-21-12-10-15/h2-13H,1H3,(H,22,24)
InChIKeyATYOONDUAGWNBQ-UHFFFAOYSA-N
MW332.36 g/mol
LogP3.57
Rot. Bonds5

About 3-methoxy-N-[4-(pyridine-4-carbonyl)phenyl]benzamide

3-methoxy-N-[4-(pyridine-4-carbonyl)phenyl]benzamide (PubChem CID 713115) has the molecular formula C20H16N2O3 and a molecular weight of 332.36 g/mol. Its IUPAC name is 3-methoxy-N-[4-(pyridine-4-carbonyl)phenyl]benzamide.

Molecular Properties

Compound Name3-methoxy-N-[4-(pyridine-4-carbonyl)phenyl]benzamide
PubChem CID713115
Molecular FormulaC20H16N2O3
Molecular Weight332.36 g/mol
Exact Mass332.12
IUPAC Name3-methoxy-N-[4-(pyridine-4-carbonyl)phenyl]benzamide
SMILESCOc1cccc(C(=O)Nc2ccc(C(=O)c3ccncc3)cc2)c1
InChIInChI=1S/C20H16N2O3/c1-25-18-4-2-3-16(13-18)20(24)22-17-7-5-14(6-8-17)19(23)15-9-11-21-12-10-15/h2-13H,1H3,(H,22,24)
InChIKeyATYOONDUAGWNBQ-UHFFFAOYSA-N
XLogP3.57
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[4-(pyridine-4-carbonyl)phenyl]benzamide?
The IUPAC name of 3-methoxy-N-[4-(pyridine-4-carbonyl)phenyl]benzamide (CID 713115) is 3-methoxy-N-[4-(pyridine-4-carbonyl)phenyl]benzamide.
What is the SMILES notation for 3-methoxy-N-[4-(pyridine-4-carbonyl)phenyl]benzamide?
The canonical SMILES for 3-methoxy-N-[4-(pyridine-4-carbonyl)phenyl]benzamide is COc1cccc(C(=O)Nc2ccc(C(=O)c3ccncc3)cc2)c1.
What is the InChIKey of 3-methoxy-N-[4-(pyridine-4-carbonyl)phenyl]benzamide?
The InChIKey is ATYOONDUAGWNBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O3/c1-25-18-4-2-3-16(13-18)20(24)22-17-7-5-14(6-8-17)19(23)15-9-11-21-12-10-15/h2-13H,1H3,(H,22,24).
What are the key properties of 3-methoxy-N-[4-(pyridine-4-carbonyl)phenyl]benzamide?
3-methoxy-N-[4-(pyridine-4-carbonyl)phenyl]benzamide has a molecular weight of 332.36 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[4-(pyridine-4-carbonyl)phenyl]benzamide is sourced from PubChem (CID 713115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).