N-(3-pyridin-3-ylphenyl)-4-pyrimidin-5-ylbenzamide

C22H16N4O — CID 25058459

IUPACN-(3-pyridin-3-ylphenyl)-4-pyrimidin-5-ylbenzamide
SMILESO=C(Nc1cccc(-c2cccnc2)c1)c1ccc(-c2cncnc2)cc1
InChIInChI=1S/C22H16N4O/c27-22(17-8-6-16(7-9-17)20-13-24-15-25-14-20)26-21-5-1-3-18(11-21)19-4-2-10-23-12-19/h1-15H,(H,26,27)
InChIKeyNTAVXTWNFCCFRQ-UHFFFAOYSA-N
MW352.40 g/mol
LogP4.46
Rot. Bonds4

About N-(3-pyridin-3-ylphenyl)-4-pyrimidin-5-ylbenzamide

N-(3-pyridin-3-ylphenyl)-4-pyrimidin-5-ylbenzamide (PubChem CID 25058459) has the molecular formula C22H16N4O and a molecular weight of 352.40 g/mol. Its IUPAC name is N-(3-pyridin-3-ylphenyl)-4-pyrimidin-5-ylbenzamide.

Molecular Properties

Compound NameN-(3-pyridin-3-ylphenyl)-4-pyrimidin-5-ylbenzamide
PubChem CID25058459
Molecular FormulaC22H16N4O
Molecular Weight352.40 g/mol
Exact Mass352.13
IUPAC NameN-(3-pyridin-3-ylphenyl)-4-pyrimidin-5-ylbenzamide
SMILESO=C(Nc1cccc(-c2cccnc2)c1)c1ccc(-c2cncnc2)cc1
InChIInChI=1S/C22H16N4O/c27-22(17-8-6-16(7-9-17)20-13-24-15-25-14-20)26-21-5-1-3-18(11-21)19-4-2-10-23-12-19/h1-15H,(H,26,27)
InChIKeyNTAVXTWNFCCFRQ-UHFFFAOYSA-N
XLogP4.46
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.40
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-pyridin-3-ylphenyl)pyridine-3-carboxamide
CID 110461666
5-[(4-pyridin-3-ylbenzoyl)amino]benzene-1,3-dicarboxylic acid
CID 146021058
N-(3-pyridin-4-ylphenyl)pyridine-4-carboxamide
CID 166320523
N-(4-pyrimidin-5-ylphenyl)pyridine-4-carboxamide
CID 110461708
3-phenyl-N-pyridin-3-ylbenzamide
CID 110723041
N-(1H-indol-5-yl)-4-pyridin-3-ylbenzamide
CID 59673715
N-(3-fluorophenyl)-3-(4-pyridin-3-ylanilino)benzamide
CID 164589782
N-(2-hydroxyphenyl)-4-pyridin-3-ylbenzamide
CID 59672983
5-[3-[3-[3-pyridin-3-yl-5-[3-(3-pyridin-4-ylphenyl)phenyl]phenyl]phenyl]phenyl]pyrimidine
CID 164785648
5-[3,5-bis[3-(3-pyridin-3-ylphenyl)phenyl]phenyl]pyrimidine;5-[3,5-bis[3-(3-pyridin-4-ylphenyl)phenyl]phenyl]pyrimidine;5-[3,5-bis[3-(3-pyrimidin-5-ylphenyl)phenyl]phenyl]pyrimidine
CID 165097309
2-methyl-N-(3-pyrimidin-5-ylphenyl)-1H-imidazole-5-carboxamide
CID 110467649
1-amino-3-(3-pyrimidin-5-ylphenyl)urea
CID 142783216

Frequently Asked Questions

What is the IUPAC name of N-(3-pyridin-3-ylphenyl)-4-pyrimidin-5-ylbenzamide?
The IUPAC name of N-(3-pyridin-3-ylphenyl)-4-pyrimidin-5-ylbenzamide (CID 25058459) is N-(3-pyridin-3-ylphenyl)-4-pyrimidin-5-ylbenzamide.
What is the SMILES notation for N-(3-pyridin-3-ylphenyl)-4-pyrimidin-5-ylbenzamide?
The canonical SMILES for N-(3-pyridin-3-ylphenyl)-4-pyrimidin-5-ylbenzamide is O=C(Nc1cccc(-c2cccnc2)c1)c1ccc(-c2cncnc2)cc1.
What is the InChIKey of N-(3-pyridin-3-ylphenyl)-4-pyrimidin-5-ylbenzamide?
The InChIKey is NTAVXTWNFCCFRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N4O/c27-22(17-8-6-16(7-9-17)20-13-24-15-25-14-20)26-21-5-1-3-18(11-21)19-4-2-10-23-12-19/h1-15H,(H,26,27).
What are the key properties of N-(3-pyridin-3-ylphenyl)-4-pyrimidin-5-ylbenzamide?
N-(3-pyridin-3-ylphenyl)-4-pyrimidin-5-ylbenzamide has a molecular weight of 352.40 g/mol, XLogP of 4.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-pyridin-3-ylphenyl)-4-pyrimidin-5-ylbenzamide is sourced from PubChem (CID 25058459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).