N-(3-isoquinolin-4-ylphenyl)-5-phenylpyridine-3-carboxamide

C27H19N3O — CID 141273596

IUPACN-(3-isoquinolin-4-ylphenyl)-5-phenylpyridine-3-carboxamide
SMILESO=C(Nc1cccc(-c2cncc3ccccc23)c1)c1cncc(-c2ccccc2)c1
InChIInChI=1S/C27H19N3O/c31-27(23-13-22(16-28-17-23)19-7-2-1-3-8-19)30-24-11-6-10-20(14-24)26-18-29-15-21-9-4-5-12-25(21)26/h1-18H,(H,30,31)
InChIKeyMGQHSUWGYROKBW-UHFFFAOYSA-N
MW401.47 g/mol
LogP6.22
Rot. Bonds4

About N-(3-isoquinolin-4-ylphenyl)-5-phenylpyridine-3-carboxamide

N-(3-isoquinolin-4-ylphenyl)-5-phenylpyridine-3-carboxamide (PubChem CID 141273596) has the molecular formula C27H19N3O and a molecular weight of 401.47 g/mol. Its IUPAC name is N-(3-isoquinolin-4-ylphenyl)-5-phenylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-isoquinolin-4-ylphenyl)-5-phenylpyridine-3-carboxamide
PubChem CID141273596
Molecular FormulaC27H19N3O
Molecular Weight401.47 g/mol
Exact Mass401.15
IUPAC NameN-(3-isoquinolin-4-ylphenyl)-5-phenylpyridine-3-carboxamide
SMILESO=C(Nc1cccc(-c2cncc3ccccc23)c1)c1cncc(-c2ccccc2)c1
InChIInChI=1S/C27H19N3O/c31-27(23-13-22(16-28-17-23)19-7-2-1-3-8-19)30-24-11-6-10-20(14-24)26-18-29-15-21-9-4-5-12-25(21)26/h1-18H,(H,30,31)
InChIKeyMGQHSUWGYROKBW-UHFFFAOYSA-N
XLogP6.22
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.47
LogP ≤ 56.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,5-diphenylpyridine-3-carboxamide
CID 110683714
N-[3-[2-(difluoromethoxy)phenyl]phenyl]-5-phenylpyridine-3-carboxamide
CID 141273529
5-phenyl-N-(3-thiophen-2-ylphenyl)pyridine-3-carboxamide
CID 141273560
N-[3-(difluoromethoxy)phenyl]-5-phenylpyridine-3-carboxamide
CID 174628040
N-(3-ethoxyphenyl)-5-phenylpyridine-3-carboxamide
CID 174738828
N-(4-methoxyphenyl)-5-phenylpyridine-3-carboxamide
CID 110683719
N-(4-chlorophenyl)-4-isoquinolin-4-ylbenzamide
CID 69116670
N-(3-cyanophenyl)-5-isoquinolin-4-yl-1H-indazole-3-carboxamide
CID 69074888
5-isoquinolin-5-ylpyridine-3-carboxylic acid
CID 56828979
N-(2-bromophenyl)-5-phenylpyridine-3-carboxamide
CID 99705381
N-(3-pyridin-3-ylphenyl)pyridine-3-carboxamide
CID 110461666
3-isoquinolin-4-ylaniline
CID 22724137

Frequently Asked Questions

What is the IUPAC name of N-(3-isoquinolin-4-ylphenyl)-5-phenylpyridine-3-carboxamide?
The IUPAC name of N-(3-isoquinolin-4-ylphenyl)-5-phenylpyridine-3-carboxamide (CID 141273596) is N-(3-isoquinolin-4-ylphenyl)-5-phenylpyridine-3-carboxamide.
What is the SMILES notation for N-(3-isoquinolin-4-ylphenyl)-5-phenylpyridine-3-carboxamide?
The canonical SMILES for N-(3-isoquinolin-4-ylphenyl)-5-phenylpyridine-3-carboxamide is O=C(Nc1cccc(-c2cncc3ccccc23)c1)c1cncc(-c2ccccc2)c1.
What is the InChIKey of N-(3-isoquinolin-4-ylphenyl)-5-phenylpyridine-3-carboxamide?
The InChIKey is MGQHSUWGYROKBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19N3O/c31-27(23-13-22(16-28-17-23)19-7-2-1-3-8-19)30-24-11-6-10-20(14-24)26-18-29-15-21-9-4-5-12-25(21)26/h1-18H,(H,30,31).
What are the key properties of N-(3-isoquinolin-4-ylphenyl)-5-phenylpyridine-3-carboxamide?
N-(3-isoquinolin-4-ylphenyl)-5-phenylpyridine-3-carboxamide has a molecular weight of 401.47 g/mol, XLogP of 6.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-isoquinolin-4-ylphenyl)-5-phenylpyridine-3-carboxamide is sourced from PubChem (CID 141273596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).