N-(3-methoxyphenyl)-5-(4-methylphenyl)pyridine-3-carboxamide

C20H18N2O2 — CID 53002375

IUPACN-(3-methoxyphenyl)-5-(4-methylphenyl)pyridine-3-carboxamide
SMILESCOc1cccc(NC(=O)c2cncc(-c3ccc(C)cc3)c2)c1
InChIInChI=1S/C20H18N2O2/c1-14-6-8-15(9-7-14)16-10-17(13-21-12-16)20(23)22-18-4-3-5-19(11-18)24-2/h3-13H,1-2H3,(H,22,23)
InChIKeyOYCKZNCREIEPSE-UHFFFAOYSA-N
MW318.38 g/mol
LogP4.32
Rot. Bonds4

About N-(3-methoxyphenyl)-5-(4-methylphenyl)pyridine-3-carboxamide

N-(3-methoxyphenyl)-5-(4-methylphenyl)pyridine-3-carboxamide (PubChem CID 53002375) has the molecular formula C20H18N2O2 and a molecular weight of 318.38 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-5-(4-methylphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-5-(4-methylphenyl)pyridine-3-carboxamide
PubChem CID53002375
Molecular FormulaC20H18N2O2
Molecular Weight318.38 g/mol
Exact Mass318.14
IUPAC NameN-(3-methoxyphenyl)-5-(4-methylphenyl)pyridine-3-carboxamide
SMILESCOc1cccc(NC(=O)c2cncc(-c3ccc(C)cc3)c2)c1
InChIInChI=1S/C20H18N2O2/c1-14-6-8-15(9-7-14)16-10-17(13-21-12-16)20(23)22-18-4-3-5-19(11-18)24-2/h3-13H,1-2H3,(H,22,23)
InChIKeyOYCKZNCREIEPSE-UHFFFAOYSA-N
XLogP4.32
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-5-(4-methylphenyl)pyridine-3-carboxamide?
The IUPAC name of N-(3-methoxyphenyl)-5-(4-methylphenyl)pyridine-3-carboxamide (CID 53002375) is N-(3-methoxyphenyl)-5-(4-methylphenyl)pyridine-3-carboxamide.
What is the SMILES notation for N-(3-methoxyphenyl)-5-(4-methylphenyl)pyridine-3-carboxamide?
The canonical SMILES for N-(3-methoxyphenyl)-5-(4-methylphenyl)pyridine-3-carboxamide is COc1cccc(NC(=O)c2cncc(-c3ccc(C)cc3)c2)c1.
What is the InChIKey of N-(3-methoxyphenyl)-5-(4-methylphenyl)pyridine-3-carboxamide?
The InChIKey is OYCKZNCREIEPSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O2/c1-14-6-8-15(9-7-14)16-10-17(13-21-12-16)20(23)22-18-4-3-5-19(11-18)24-2/h3-13H,1-2H3,(H,22,23).
What are the key properties of N-(3-methoxyphenyl)-5-(4-methylphenyl)pyridine-3-carboxamide?
N-(3-methoxyphenyl)-5-(4-methylphenyl)pyridine-3-carboxamide has a molecular weight of 318.38 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-5-(4-methylphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 53002375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).