N-[5-(4-methylphenyl)naphthalen-1-yl]pyridine-2-carboxamide

C23H18N2O — CID 139242174

IUPACN-[5-(4-methylphenyl)naphthalen-1-yl]pyridine-2-carboxamide
SMILESCc1ccc(-c2cccc3c(NC(=O)c4ccccn4)cccc23)cc1
InChIInChI=1S/C23H18N2O/c1-16-11-13-17(14-12-16)18-6-4-8-20-19(18)7-5-10-21(20)25-23(26)22-9-2-3-15-24-22/h2-15H,1H3,(H,25,26)
InChIKeyNIRYNLHIJZVTBZ-UHFFFAOYSA-N
MW338.41 g/mol
LogP5.46
Rot. Bonds3

About N-[5-(4-methylphenyl)naphthalen-1-yl]pyridine-2-carboxamide

N-[5-(4-methylphenyl)naphthalen-1-yl]pyridine-2-carboxamide (PubChem CID 139242174) has the molecular formula C23H18N2O and a molecular weight of 338.41 g/mol. Its IUPAC name is N-[5-(4-methylphenyl)naphthalen-1-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[5-(4-methylphenyl)naphthalen-1-yl]pyridine-2-carboxamide
PubChem CID139242174
Molecular FormulaC23H18N2O
Molecular Weight338.41 g/mol
Exact Mass338.14
IUPAC NameN-[5-(4-methylphenyl)naphthalen-1-yl]pyridine-2-carboxamide
SMILESCc1ccc(-c2cccc3c(NC(=O)c4ccccn4)cccc23)cc1
InChIInChI=1S/C23H18N2O/c1-16-11-13-17(14-12-16)18-6-4-8-20-19(18)7-5-10-21(20)25-23(26)22-9-2-3-15-24-22/h2-15H,1H3,(H,25,26)
InChIKeyNIRYNLHIJZVTBZ-UHFFFAOYSA-N
XLogP5.46
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.41
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(4-methylanilino)phenyl]pyridine-2-carboxamide
CID 108745005
N-quinolin-5-ylpyridine-2-carboxamide
CID 3985423
N-[2-(pyridine-2-carbonylamino)phenyl]pyridine-2-carboxamide;ruthenium(2+);dichloride
CID 46845295
N-[4-methyl-2-(pyridine-2-carbonylamino)phenyl]pyridine-2-carboxamide
CID 4867706
N-[8-(4-tert-butylphenyl)naphthalen-1-yl]pyridine-2-carboxamide
CID 72714120
N-[4-(4-methyl-1,3-dioxoisoindol-2-yl)naphthalen-1-yl]pyridine-2-carboxamide
CID 45110261
ethyl 4-[8-(pyridine-2-carbonylamino)naphthalen-1-yl]benzoate
CID 71659694
dichloromanganese;bis(N-(4-methylphenyl)pyridine-2-carboxamide)
CID 11455628
N-(2-amino-4-methylphenyl)pyridine-2-carboxamide
CID 43259115
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide
CID 16619036
N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]pyridine-2-carboxamide
CID 90626104
ethane;N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide
CID 153338927

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-methylphenyl)naphthalen-1-yl]pyridine-2-carboxamide?
The IUPAC name of N-[5-(4-methylphenyl)naphthalen-1-yl]pyridine-2-carboxamide (CID 139242174) is N-[5-(4-methylphenyl)naphthalen-1-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-[5-(4-methylphenyl)naphthalen-1-yl]pyridine-2-carboxamide?
The canonical SMILES for N-[5-(4-methylphenyl)naphthalen-1-yl]pyridine-2-carboxamide is Cc1ccc(-c2cccc3c(NC(=O)c4ccccn4)cccc23)cc1.
What is the InChIKey of N-[5-(4-methylphenyl)naphthalen-1-yl]pyridine-2-carboxamide?
The InChIKey is NIRYNLHIJZVTBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2O/c1-16-11-13-17(14-12-16)18-6-4-8-20-19(18)7-5-10-21(20)25-23(26)22-9-2-3-15-24-22/h2-15H,1H3,(H,25,26).
What are the key properties of N-[5-(4-methylphenyl)naphthalen-1-yl]pyridine-2-carboxamide?
N-[5-(4-methylphenyl)naphthalen-1-yl]pyridine-2-carboxamide has a molecular weight of 338.41 g/mol, XLogP of 5.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-methylphenyl)naphthalen-1-yl]pyridine-2-carboxamide is sourced from PubChem (CID 139242174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).