6-methoxy-N-[2-(2-phenylethylcarbamoyl)phenyl]pyridine-3-carboxamide

C22H21N3O3 — CID 33253802

IUPAC6-methoxy-N-[2-(2-phenylethylcarbamoyl)phenyl]pyridine-3-carboxamide
SMILESCOc1ccc(C(=O)Nc2ccccc2C(=O)NCCc2ccccc2)cn1
InChIInChI=1S/C22H21N3O3/c1-28-20-12-11-17(15-24-20)21(26)25-19-10-6-5-9-18(19)22(27)23-14-13-16-7-3-2-4-8-16/h2-12,15H,13-14H2,1H3,(H,23,27)(H,25,26)
InChIKeyZCXAXZVOWWVNOD-UHFFFAOYSA-N
MW375.43 g/mol
LogP3.32
Rot. Bonds7

About 6-methoxy-N-[2-(2-phenylethylcarbamoyl)phenyl]pyridine-3-carboxamide

6-methoxy-N-[2-(2-phenylethylcarbamoyl)phenyl]pyridine-3-carboxamide (PubChem CID 33253802) has the molecular formula C22H21N3O3 and a molecular weight of 375.43 g/mol. Its IUPAC name is 6-methoxy-N-[2-(2-phenylethylcarbamoyl)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-methoxy-N-[2-(2-phenylethylcarbamoyl)phenyl]pyridine-3-carboxamide
PubChem CID33253802
Molecular FormulaC22H21N3O3
Molecular Weight375.43 g/mol
Exact Mass375.16
IUPAC Name6-methoxy-N-[2-(2-phenylethylcarbamoyl)phenyl]pyridine-3-carboxamide
SMILESCOc1ccc(C(=O)Nc2ccccc2C(=O)NCCc2ccccc2)cn1
InChIInChI=1S/C22H21N3O3/c1-28-20-12-11-17(15-24-20)21(26)25-19-10-6-5-9-18(19)22(27)23-14-13-16-7-3-2-4-8-16/h2-12,15H,13-14H2,1H3,(H,23,27)(H,25,26)
InChIKeyZCXAXZVOWWVNOD-UHFFFAOYSA-N
XLogP3.32
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-[2-(2-phenylethylcarbamoyl)phenyl]pyridine-3-carboxamide?
The IUPAC name of 6-methoxy-N-[2-(2-phenylethylcarbamoyl)phenyl]pyridine-3-carboxamide (CID 33253802) is 6-methoxy-N-[2-(2-phenylethylcarbamoyl)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-methoxy-N-[2-(2-phenylethylcarbamoyl)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 6-methoxy-N-[2-(2-phenylethylcarbamoyl)phenyl]pyridine-3-carboxamide is COc1ccc(C(=O)Nc2ccccc2C(=O)NCCc2ccccc2)cn1.
What is the InChIKey of 6-methoxy-N-[2-(2-phenylethylcarbamoyl)phenyl]pyridine-3-carboxamide?
The InChIKey is ZCXAXZVOWWVNOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O3/c1-28-20-12-11-17(15-24-20)21(26)25-19-10-6-5-9-18(19)22(27)23-14-13-16-7-3-2-4-8-16/h2-12,15H,13-14H2,1H3,(H,23,27)(H,25,26).
What are the key properties of 6-methoxy-N-[2-(2-phenylethylcarbamoyl)phenyl]pyridine-3-carboxamide?
6-methoxy-N-[2-(2-phenylethylcarbamoyl)phenyl]pyridine-3-carboxamide has a molecular weight of 375.43 g/mol, XLogP of 3.32, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-[2-(2-phenylethylcarbamoyl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 33253802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).