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

C20H18N2O2 — CID 53020816

IUPACN-benzyl-5-(4-methoxyphenyl)pyridine-3-carboxamide
SMILESCOc1ccc(-c2cncc(C(=O)NCc3ccccc3)c2)cc1
InChIInChI=1S/C20H18N2O2/c1-24-19-9-7-16(8-10-19)17-11-18(14-21-13-17)20(23)22-12-15-5-3-2-4-6-15/h2-11,13-14H,12H2,1H3,(H,22,23)
InChIKeyUTZJTJRUFNYUTB-UHFFFAOYSA-N
MW318.38 g/mol
LogP3.69
Rot. Bonds5

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

N-benzyl-5-(4-methoxyphenyl)pyridine-3-carboxamide (PubChem CID 53020816) has the molecular formula C20H18N2O2 and a molecular weight of 318.38 g/mol. Its IUPAC name is N-benzyl-5-(4-methoxyphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-5-(4-methoxyphenyl)pyridine-3-carboxamide
PubChem CID53020816
Molecular FormulaC20H18N2O2
Molecular Weight318.38 g/mol
Exact Mass318.14
IUPAC NameN-benzyl-5-(4-methoxyphenyl)pyridine-3-carboxamide
SMILESCOc1ccc(-c2cncc(C(=O)NCc3ccccc3)c2)cc1
InChIInChI=1S/C20H18N2O2/c1-24-19-9-7-16(8-10-19)17-11-18(14-21-13-17)20(23)22-12-15-5-3-2-4-6-15/h2-11,13-14H,12H2,1H3,(H,22,23)
InChIKeyUTZJTJRUFNYUTB-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

N-[(4-fluorophenyl)methyl]-5-(4-methoxyphenyl)pyridine-3-carboxamide
CID 53020814
5-(4-methoxyphenyl)-N-[2-(methylamino)ethyl]pyridine-3-carboxamide
CID 119500985
N-(1,3-benzodioxol-5-ylmethyl)-5-(4-methoxyphenyl)pyridine-3-carboxamide
CID 53010769
5-(4-methoxyphenyl)-N-[(4-methoxy-2-pyridinyl)methyl]pyridine-3-carboxamide
CID 136518818
5-amino-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 110851643
N-(4-methoxyphenyl)-5-phenylpyridine-3-carboxamide
CID 110683719
7-[[5-(4-methoxyphenyl)pyridine-3-carbonyl]amino]heptanoic acid
CID 119350793
5-(4-methylphenyl)-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 136514307
N-benzyl-5-(3-fluorophenyl)pyridine-3-carboxamide
CID 42845762
5-(4-hydroxyphenyl)-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide
CID 58833166
N-[(4-methoxyphenyl)methyl]-3-[[(4-pyridin-4-ylbenzoyl)amino]methyl]benzamide
CID 170951274
5-N-(4-methoxyphenyl)-3-N-(pyridin-4-ylmethyl)pyridine-3,5-dicarboxamide
CID 109106154

Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-(4-methoxyphenyl)pyridine-3-carboxamide?
The IUPAC name of N-benzyl-5-(4-methoxyphenyl)pyridine-3-carboxamide (CID 53020816) is N-benzyl-5-(4-methoxyphenyl)pyridine-3-carboxamide.
What is the SMILES notation for N-benzyl-5-(4-methoxyphenyl)pyridine-3-carboxamide?
The canonical SMILES for N-benzyl-5-(4-methoxyphenyl)pyridine-3-carboxamide is COc1ccc(-c2cncc(C(=O)NCc3ccccc3)c2)cc1.
What is the InChIKey of N-benzyl-5-(4-methoxyphenyl)pyridine-3-carboxamide?
The InChIKey is UTZJTJRUFNYUTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O2/c1-24-19-9-7-16(8-10-19)17-11-18(14-21-13-17)20(23)22-12-15-5-3-2-4-6-15/h2-11,13-14H,12H2,1H3,(H,22,23).
What are the key properties of N-benzyl-5-(4-methoxyphenyl)pyridine-3-carboxamide?
N-benzyl-5-(4-methoxyphenyl)pyridine-3-carboxamide 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-benzyl-5-(4-methoxyphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 53020816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).