N-[(6-methoxy-3-pyridinyl)methyl]-4-phenylbenzamide

C20H18N2O2 — CID 24589971

IUPACN-[(6-methoxy-3-pyridinyl)methyl]-4-phenylbenzamide
SMILESCOc1ccc(CNC(=O)c2ccc(-c3ccccc3)cc2)cn1
InChIInChI=1S/C20H18N2O2/c1-24-19-12-7-15(13-21-19)14-22-20(23)18-10-8-17(9-11-18)16-5-3-2-4-6-16/h2-13H,14H2,1H3,(H,22,23)
InChIKeyYWWHPINNKJDKCY-UHFFFAOYSA-N
MW318.38 g/mol
LogP3.69
Rot. Bonds5

About N-[(6-methoxy-3-pyridinyl)methyl]-4-phenylbenzamide

N-[(6-methoxy-3-pyridinyl)methyl]-4-phenylbenzamide (PubChem CID 24589971) has the molecular formula C20H18N2O2 and a molecular weight of 318.38 g/mol. Its IUPAC name is N-[(6-methoxy-3-pyridinyl)methyl]-4-phenylbenzamide.

Molecular Properties

Compound NameN-[(6-methoxy-3-pyridinyl)methyl]-4-phenylbenzamide
PubChem CID24589971
Molecular FormulaC20H18N2O2
Molecular Weight318.38 g/mol
Exact Mass318.14
IUPAC NameN-[(6-methoxy-3-pyridinyl)methyl]-4-phenylbenzamide
SMILESCOc1ccc(CNC(=O)c2ccc(-c3ccccc3)cc2)cn1
InChIInChI=1S/C20H18N2O2/c1-24-19-12-7-15(13-21-19)14-22-20(23)18-10-8-17(9-11-18)16-5-3-2-4-6-16/h2-13H,14H2,1H3,(H,22,23)
InChIKeyYWWHPINNKJDKCY-UHFFFAOYSA-N
XLogP3.69
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N,4-N-bis[(6-methoxy-3-pyridinyl)methyl]benzene-1,4-dicarboxamide
CID 24646071
N-[3-[(6-methoxy-3-pyridinyl)methylamino]-3-oxopropyl]benzamide
CID 16602215
4-(ethylamino)-N-[(6-methoxy-3-pyridinyl)methyl]benzamide
CID 62991496
6-amino-N-[(6-methoxy-3-pyridinyl)methyl]pyridine-3-carboxamide
CID 55152846
3,4-dichloro-N-[(6-methoxy-3-pyridinyl)methyl]benzamide
CID 51306023
3,4-dihydroxy-N-[(6-methoxy-3-pyridinyl)methyl]benzamide
CID 103955476
2-amino-N-[(6-methoxy-3-pyridinyl)methyl]benzamide
CID 61250537
3,5-dichloro-N-[(6-methoxy-3-pyridinyl)methyl]benzamide
CID 16602233
3-amino-N-[(6-methoxy-3-pyridinyl)methyl]-4-methylbenzamide
CID 61275557
2-benzyl-N-[(6-methoxy-3-pyridinyl)methyl]benzamide
CID 51316857
N-[(4-methylphenyl)methyl]-4-phenylbenzamide
CID 1228171
N-[2-[(6-methoxy-3-pyridinyl)methylamino]-2-oxoethyl]naphthalene-2-carboxamide
CID 17420778

Frequently Asked Questions

What is the IUPAC name of N-[(6-methoxy-3-pyridinyl)methyl]-4-phenylbenzamide?
The IUPAC name of N-[(6-methoxy-3-pyridinyl)methyl]-4-phenylbenzamide (CID 24589971) is N-[(6-methoxy-3-pyridinyl)methyl]-4-phenylbenzamide.
What is the SMILES notation for N-[(6-methoxy-3-pyridinyl)methyl]-4-phenylbenzamide?
The canonical SMILES for N-[(6-methoxy-3-pyridinyl)methyl]-4-phenylbenzamide is COc1ccc(CNC(=O)c2ccc(-c3ccccc3)cc2)cn1.
What is the InChIKey of N-[(6-methoxy-3-pyridinyl)methyl]-4-phenylbenzamide?
The InChIKey is YWWHPINNKJDKCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O2/c1-24-19-12-7-15(13-21-19)14-22-20(23)18-10-8-17(9-11-18)16-5-3-2-4-6-16/h2-13H,14H2,1H3,(H,22,23).
What are the key properties of N-[(6-methoxy-3-pyridinyl)methyl]-4-phenylbenzamide?
N-[(6-methoxy-3-pyridinyl)methyl]-4-phenylbenzamide has a molecular weight of 318.38 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methoxy-3-pyridinyl)methyl]-4-phenylbenzamide is sourced from PubChem (CID 24589971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).