N-benzyl-6-(4-methylnaphthalen-1-yl)pyridine-2-carboxamide

C24H20N2O — CID 6096204

IUPACN-benzyl-6-(4-methylnaphthalen-1-yl)pyridine-2-carboxamide
SMILESCc1ccc(-c2cccc(C(=O)NCc3ccccc3)n2)c2ccccc12
InChIInChI=1S/C24H20N2O/c1-17-14-15-21(20-11-6-5-10-19(17)20)22-12-7-13-23(26-22)24(27)25-16-18-8-3-2-4-9-18/h2-15H,16H2,1H3,(H,25,27)
InChIKeyGHCLKYFPKLHDSX-UHFFFAOYSA-N
MW352.44 g/mol
LogP5.14
Rot. Bonds4

About N-benzyl-6-(4-methylnaphthalen-1-yl)pyridine-2-carboxamide

N-benzyl-6-(4-methylnaphthalen-1-yl)pyridine-2-carboxamide (PubChem CID 6096204) has the molecular formula C24H20N2O and a molecular weight of 352.44 g/mol. Its IUPAC name is N-benzyl-6-(4-methylnaphthalen-1-yl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-6-(4-methylnaphthalen-1-yl)pyridine-2-carboxamide
PubChem CID6096204
Molecular FormulaC24H20N2O
Molecular Weight352.44 g/mol
Exact Mass352.16
IUPAC NameN-benzyl-6-(4-methylnaphthalen-1-yl)pyridine-2-carboxamide
SMILESCc1ccc(-c2cccc(C(=O)NCc3ccccc3)n2)c2ccccc12
InChIInChI=1S/C24H20N2O/c1-17-14-15-21(20-11-6-5-10-19(17)20)22-12-7-13-23(26-22)24(27)25-16-18-8-3-2-4-9-18/h2-15H,16H2,1H3,(H,25,27)
InChIKeyGHCLKYFPKLHDSX-UHFFFAOYSA-N
XLogP5.14
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.44
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-6-(4-methylnaphthalen-1-yl)pyridine-2-carboxamide?
The IUPAC name of N-benzyl-6-(4-methylnaphthalen-1-yl)pyridine-2-carboxamide (CID 6096204) is N-benzyl-6-(4-methylnaphthalen-1-yl)pyridine-2-carboxamide.
What is the SMILES notation for N-benzyl-6-(4-methylnaphthalen-1-yl)pyridine-2-carboxamide?
The canonical SMILES for N-benzyl-6-(4-methylnaphthalen-1-yl)pyridine-2-carboxamide is Cc1ccc(-c2cccc(C(=O)NCc3ccccc3)n2)c2ccccc12.
What is the InChIKey of N-benzyl-6-(4-methylnaphthalen-1-yl)pyridine-2-carboxamide?
The InChIKey is GHCLKYFPKLHDSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O/c1-17-14-15-21(20-11-6-5-10-19(17)20)22-12-7-13-23(26-22)24(27)25-16-18-8-3-2-4-9-18/h2-15H,16H2,1H3,(H,25,27).
What are the key properties of N-benzyl-6-(4-methylnaphthalen-1-yl)pyridine-2-carboxamide?
N-benzyl-6-(4-methylnaphthalen-1-yl)pyridine-2-carboxamide has a molecular weight of 352.44 g/mol, XLogP of 5.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-6-(4-methylnaphthalen-1-yl)pyridine-2-carboxamide is sourced from PubChem (CID 6096204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).