N-[8-(4-tert-butylphenyl)naphthalen-1-yl]pyridine-2-carboxamide

C26H24N2O — CID 72714120

IUPACN-[8-(4-tert-butylphenyl)naphthalen-1-yl]pyridine-2-carboxamide
SMILESCC(C)(C)c1ccc(-c2cccc3cccc(NC(=O)c4ccccn4)c23)cc1
InChIInChI=1S/C26H24N2O/c1-26(2,3)20-15-13-18(14-16-20)21-10-6-8-19-9-7-12-22(24(19)21)28-25(29)23-11-4-5-17-27-23/h4-17H,1-3H3,(H,28,29)
InChIKeyQAWIUICFJYNCFL-UHFFFAOYSA-N
MW380.49 g/mol
LogP6.45
Rot. Bonds3

About N-[8-(4-tert-butylphenyl)naphthalen-1-yl]pyridine-2-carboxamide

N-[8-(4-tert-butylphenyl)naphthalen-1-yl]pyridine-2-carboxamide (PubChem CID 72714120) has the molecular formula C26H24N2O and a molecular weight of 380.49 g/mol. Its IUPAC name is N-[8-(4-tert-butylphenyl)naphthalen-1-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[8-(4-tert-butylphenyl)naphthalen-1-yl]pyridine-2-carboxamide
PubChem CID72714120
Molecular FormulaC26H24N2O
Molecular Weight380.49 g/mol
Exact Mass380.19
IUPAC NameN-[8-(4-tert-butylphenyl)naphthalen-1-yl]pyridine-2-carboxamide
SMILESCC(C)(C)c1ccc(-c2cccc3cccc(NC(=O)c4ccccn4)c23)cc1
InChIInChI=1S/C26H24N2O/c1-26(2,3)20-15-13-18(14-16-20)21-10-6-8-19-9-7-12-22(24(19)21)28-25(29)23-11-4-5-17-27-23/h4-17H,1-3H3,(H,28,29)
InChIKeyQAWIUICFJYNCFL-UHFFFAOYSA-N
XLogP6.45
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.49
LogP ≤ 56.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 4-[8-(pyridine-2-carbonylamino)naphthalen-1-yl]benzoate
CID 71659694
N-[5-(4-methylphenyl)naphthalen-1-yl]pyridine-2-carboxamide
CID 139242174
N-[8-(2-methylphenyl)sulfanylnaphthalen-1-yl]pyridine-2-carboxamide
CID 102531877
N-[8-(4-chlorophenyl)naphthalen-1-yl]quinoline-2-carboxamide
CID 71659919
N-[2-(pyridine-2-carbonylamino)phenyl]pyridine-2-carboxamide;ruthenium(2+);dichloride
CID 46845295
N-[8-(4-bromophenyl)naphthalen-1-yl]quinoline-2-carboxamide
CID 71659560
methyl 3-(pyridine-2-carbonylamino)-2-[4-(trifluoromethyl)phenyl]benzoate
CID 139944293
N-[8-(4-bromophenyl)selanylnaphthalen-1-yl]pyridine-2-carboxamide
CID 102531882
N-(2-methyl-1,3-dioxoisoindol-4-yl)pyridine-2-carboxamide
CID 110745316
N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]pyridine-2-carboxamide
CID 90626104
N-[4-methyl-2-(pyridine-2-carbonylamino)phenyl]pyridine-2-carboxamide
CID 4867706
N-[2,3-dimethyl-3-(pyridine-2-carbonylamino)butan-2-yl]pyridine-2-carboxamide
CID 15860605

Frequently Asked Questions

What is the IUPAC name of N-[8-(4-tert-butylphenyl)naphthalen-1-yl]pyridine-2-carboxamide?
The IUPAC name of N-[8-(4-tert-butylphenyl)naphthalen-1-yl]pyridine-2-carboxamide (CID 72714120) is N-[8-(4-tert-butylphenyl)naphthalen-1-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-[8-(4-tert-butylphenyl)naphthalen-1-yl]pyridine-2-carboxamide?
The canonical SMILES for N-[8-(4-tert-butylphenyl)naphthalen-1-yl]pyridine-2-carboxamide is CC(C)(C)c1ccc(-c2cccc3cccc(NC(=O)c4ccccn4)c23)cc1.
What is the InChIKey of N-[8-(4-tert-butylphenyl)naphthalen-1-yl]pyridine-2-carboxamide?
The InChIKey is QAWIUICFJYNCFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O/c1-26(2,3)20-15-13-18(14-16-20)21-10-6-8-19-9-7-12-22(24(19)21)28-25(29)23-11-4-5-17-27-23/h4-17H,1-3H3,(H,28,29).
What are the key properties of N-[8-(4-tert-butylphenyl)naphthalen-1-yl]pyridine-2-carboxamide?
N-[8-(4-tert-butylphenyl)naphthalen-1-yl]pyridine-2-carboxamide has a molecular weight of 380.49 g/mol, XLogP of 6.45, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[8-(4-tert-butylphenyl)naphthalen-1-yl]pyridine-2-carboxamide is sourced from PubChem (CID 72714120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).