N-[(4-methoxyphenyl)methyl]-6-(4-methylnaphthalen-1-yl)pyridine-2-carboxamide

C25H22N2O2 — CID 6096189

IUPACN-[(4-methoxyphenyl)methyl]-6-(4-methylnaphthalen-1-yl)pyridine-2-carboxamide
SMILESCOc1ccc(CNC(=O)c2cccc(-c3ccc(C)c4ccccc34)n2)cc1
InChIInChI=1S/C25H22N2O2/c1-17-10-15-22(21-7-4-3-6-20(17)21)23-8-5-9-24(27-23)25(28)26-16-18-11-13-19(29-2)14-12-18/h3-15H,16H2,1-2H3,(H,26,28)
InChIKeyHBTJDBTWVVMSQM-UHFFFAOYSA-N
MW382.46 g/mol
LogP5.15
Rot. Bonds5

About N-[(4-methoxyphenyl)methyl]-6-(4-methylnaphthalen-1-yl)pyridine-2-carboxamide

N-[(4-methoxyphenyl)methyl]-6-(4-methylnaphthalen-1-yl)pyridine-2-carboxamide (PubChem CID 6096189) has the molecular formula C25H22N2O2 and a molecular weight of 382.46 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-6-(4-methylnaphthalen-1-yl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-6-(4-methylnaphthalen-1-yl)pyridine-2-carboxamide
PubChem CID6096189
Molecular FormulaC25H22N2O2
Molecular Weight382.46 g/mol
Exact Mass382.17
IUPAC NameN-[(4-methoxyphenyl)methyl]-6-(4-methylnaphthalen-1-yl)pyridine-2-carboxamide
SMILESCOc1ccc(CNC(=O)c2cccc(-c3ccc(C)c4ccccc34)n2)cc1
InChIInChI=1S/C25H22N2O2/c1-17-10-15-22(21-7-4-3-6-20(17)21)23-8-5-9-24(27-23)25(28)26-16-18-11-13-19(29-2)14-12-18/h3-15H,16H2,1-2H3,(H,26,28)
InChIKeyHBTJDBTWVVMSQM-UHFFFAOYSA-N
XLogP5.15
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.46
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-6-(4-methylnaphthalen-1-yl)pyridine-2-carboxamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-6-(4-methylnaphthalen-1-yl)pyridine-2-carboxamide (CID 6096189) is N-[(4-methoxyphenyl)methyl]-6-(4-methylnaphthalen-1-yl)pyridine-2-carboxamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-6-(4-methylnaphthalen-1-yl)pyridine-2-carboxamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-6-(4-methylnaphthalen-1-yl)pyridine-2-carboxamide is COc1ccc(CNC(=O)c2cccc(-c3ccc(C)c4ccccc34)n2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-6-(4-methylnaphthalen-1-yl)pyridine-2-carboxamide?
The InChIKey is HBTJDBTWVVMSQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2O2/c1-17-10-15-22(21-7-4-3-6-20(17)21)23-8-5-9-24(27-23)25(28)26-16-18-11-13-19(29-2)14-12-18/h3-15H,16H2,1-2H3,(H,26,28).
What are the key properties of N-[(4-methoxyphenyl)methyl]-6-(4-methylnaphthalen-1-yl)pyridine-2-carboxamide?
N-[(4-methoxyphenyl)methyl]-6-(4-methylnaphthalen-1-yl)pyridine-2-carboxamide has a molecular weight of 382.46 g/mol, XLogP of 5.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-6-(4-methylnaphthalen-1-yl)pyridine-2-carboxamide is sourced from PubChem (CID 6096189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).