N-(4-tert-butylphenyl)-6-phenylpyridine-3-carboxamide

C22H22N2O — CID 11450343

IUPACN-(4-tert-butylphenyl)-6-phenylpyridine-3-carboxamide
SMILESCC(C)(C)c1ccc(NC(=O)c2ccc(-c3ccccc3)nc2)cc1
InChIInChI=1S/C22H22N2O/c1-22(2,3)18-10-12-19(13-11-18)24-21(25)17-9-14-20(23-15-17)16-7-5-4-6-8-16/h4-15H,1-3H3,(H,24,25)
InChIKeyZWEXBTXCCZOEHF-UHFFFAOYSA-N
MW330.43 g/mol
LogP5.30
Rot. Bonds3

About N-(4-tert-butylphenyl)-6-phenylpyridine-3-carboxamide

N-(4-tert-butylphenyl)-6-phenylpyridine-3-carboxamide (PubChem CID 11450343) has the molecular formula C22H22N2O and a molecular weight of 330.43 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-6-phenylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-6-phenylpyridine-3-carboxamide
PubChem CID11450343
Molecular FormulaC22H22N2O
Molecular Weight330.43 g/mol
Exact Mass330.17
IUPAC NameN-(4-tert-butylphenyl)-6-phenylpyridine-3-carboxamide
SMILESCC(C)(C)c1ccc(NC(=O)c2ccc(-c3ccccc3)nc2)cc1
InChIInChI=1S/C22H22N2O/c1-22(2,3)18-10-12-19(13-11-18)24-21(25)17-9-14-20(23-15-17)16-7-5-4-6-8-16/h4-15H,1-3H3,(H,24,25)
InChIKeyZWEXBTXCCZOEHF-UHFFFAOYSA-N
XLogP5.30
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.43
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-tert-butylphenyl)-4-phenylbenzamide
CID 7914209
N-[4-(5-benzamido-2-pyridinyl)phenyl]benzamide
CID 86766305
N-phenyl-6-pyridin-4-ylpyridine-3-carboxamide
CID 174640985
6-[4-(naphthalen-2-ylcarbamoyl)phenyl]-N-phenylpyridine-3-carboxamide
CID 170421562
N-(4-tert-butylphenyl)-4-[5-[(1R)-1,2-dihydroxyethyl]-2-pyridinyl]benzamide
CID 46208909
6-(3-fluorophenyl)-N-phenylpyridine-3-carboxamide
CID 53111120
6-[4-(naphthalene-1-carbonylamino)phenyl]-N-phenylpyridine-3-carboxamide
CID 170421908
N-[6-[4-(phenylcarbamoyl)phenyl]-3-pyridinyl]naphthalene-2-carboxamide
CID 170421570
4-tert-butyl-N-(4-phenoxyphenyl)benzamide
CID 675709
4-tert-butyl-N-[4-[[[2-(4-phenylphenoxy)acetyl]amino]carbamoyl]phenyl]benzamide
CID 4513398
N-(3-tert-butylphenyl)-6-(3-methoxyphenyl)pyridine-3-carboxamide
CID 58639394
4-tert-butyl-N-[4-[[1-(4-phenylphenyl)ethylideneamino]carbamoyl]phenyl]benzamide
CID 3370740

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-6-phenylpyridine-3-carboxamide?
The IUPAC name of N-(4-tert-butylphenyl)-6-phenylpyridine-3-carboxamide (CID 11450343) is N-(4-tert-butylphenyl)-6-phenylpyridine-3-carboxamide.
What is the SMILES notation for N-(4-tert-butylphenyl)-6-phenylpyridine-3-carboxamide?
The canonical SMILES for N-(4-tert-butylphenyl)-6-phenylpyridine-3-carboxamide is CC(C)(C)c1ccc(NC(=O)c2ccc(-c3ccccc3)nc2)cc1.
What is the InChIKey of N-(4-tert-butylphenyl)-6-phenylpyridine-3-carboxamide?
The InChIKey is ZWEXBTXCCZOEHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O/c1-22(2,3)18-10-12-19(13-11-18)24-21(25)17-9-14-20(23-15-17)16-7-5-4-6-8-16/h4-15H,1-3H3,(H,24,25).
What are the key properties of N-(4-tert-butylphenyl)-6-phenylpyridine-3-carboxamide?
N-(4-tert-butylphenyl)-6-phenylpyridine-3-carboxamide has a molecular weight of 330.43 g/mol, XLogP of 5.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-6-phenylpyridine-3-carboxamide is sourced from PubChem (CID 11450343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).