N-[1-(4-fluorophenyl)ethyl]-2-phenyl-4-pyridin-4-ylpyrimidine-5-carboxamide

C24H19FN4O — CID 53143559

IUPACN-[1-(4-fluorophenyl)ethyl]-2-phenyl-4-pyridin-4-ylpyrimidine-5-carboxamide
SMILESCC(NC(=O)c1cnc(-c2ccccc2)nc1-c1ccncc1)c1ccc(F)cc1
InChIInChI=1S/C24H19FN4O/c1-16(17-7-9-20(25)10-8-17)28-24(30)21-15-27-23(19-5-3-2-4-6-19)29-22(21)18-11-13-26-14-12-18/h2-16H,1H3,(H,28,30)
InChIKeyKZEHKZLWNKNOHB-UHFFFAOYSA-N
MW398.44 g/mol
LogP4.84
Rot. Bonds5

About N-[1-(4-fluorophenyl)ethyl]-2-phenyl-4-pyridin-4-ylpyrimidine-5-carboxamide

N-[1-(4-fluorophenyl)ethyl]-2-phenyl-4-pyridin-4-ylpyrimidine-5-carboxamide (PubChem CID 53143559) has the molecular formula C24H19FN4O and a molecular weight of 398.44 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)ethyl]-2-phenyl-4-pyridin-4-ylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)ethyl]-2-phenyl-4-pyridin-4-ylpyrimidine-5-carboxamide
PubChem CID53143559
Molecular FormulaC24H19FN4O
Molecular Weight398.44 g/mol
Exact Mass398.15
IUPAC NameN-[1-(4-fluorophenyl)ethyl]-2-phenyl-4-pyridin-4-ylpyrimidine-5-carboxamide
SMILESCC(NC(=O)c1cnc(-c2ccccc2)nc1-c1ccncc1)c1ccc(F)cc1
InChIInChI=1S/C24H19FN4O/c1-16(17-7-9-20(25)10-8-17)28-24(30)21-15-27-23(19-5-3-2-4-6-19)29-22(21)18-11-13-26-14-12-18/h2-16H,1H3,(H,28,30)
InChIKeyKZEHKZLWNKNOHB-UHFFFAOYSA-N
XLogP4.84
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.44
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methylphenyl)-4-pyridin-4-yl-N-(1-pyridin-2-ylethyl)pyrimidine-5-carboxamide
CID 53200674
2-(4-fluorophenyl)-N-(2-methylphenyl)-4-pyridin-4-ylpyrimidine-5-carboxamide
CID 53143659
N-[(1S)-1-(4-fluorophenyl)ethyl]-3-phenyl-1,2-oxazole-4-carboxamide
CID 100771614
N-(2-fluoro-5-methylphenyl)-2-phenyl-4-pyridin-4-ylpyrimidine-5-carboxamide
CID 53143528
N-(3-methylphenyl)-2-phenyl-4-pyridin-4-ylpyrimidine-5-carboxamide
CID 53143497
N-(4-fluoro-3-methylphenyl)-2-(4-fluorophenyl)-4-pyridin-4-ylpyrimidine-5-carboxamide
CID 53143686
2-(4-fluorophenyl)-N-(1-pyridin-4-ylethyl)quinoline-4-carboxamide
CID 112761308
2-(4-methylphenyl)-N-(2-methylsulfanylphenyl)-4-pyridin-4-ylpyrimidine-5-carboxamide
CID 53143621
N-ethyl-2,4-diphenylpyrimidine-5-carboxamide
CID 1470755
2-amino-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-4-phenylpyrimidine-5-carboxamide
CID 74234846
2-fluoro-N-[(1S)-1-pyridin-4-ylethyl]benzamide
CID 40585288
3-fluoro-N-[(1S)-1-(4-fluorophenyl)ethyl]-4-pyridin-4-ylbenzamide
CID 68515087

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)ethyl]-2-phenyl-4-pyridin-4-ylpyrimidine-5-carboxamide?
The IUPAC name of N-[1-(4-fluorophenyl)ethyl]-2-phenyl-4-pyridin-4-ylpyrimidine-5-carboxamide (CID 53143559) is N-[1-(4-fluorophenyl)ethyl]-2-phenyl-4-pyridin-4-ylpyrimidine-5-carboxamide.
What is the SMILES notation for N-[1-(4-fluorophenyl)ethyl]-2-phenyl-4-pyridin-4-ylpyrimidine-5-carboxamide?
The canonical SMILES for N-[1-(4-fluorophenyl)ethyl]-2-phenyl-4-pyridin-4-ylpyrimidine-5-carboxamide is CC(NC(=O)c1cnc(-c2ccccc2)nc1-c1ccncc1)c1ccc(F)cc1.
What is the InChIKey of N-[1-(4-fluorophenyl)ethyl]-2-phenyl-4-pyridin-4-ylpyrimidine-5-carboxamide?
The InChIKey is KZEHKZLWNKNOHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19FN4O/c1-16(17-7-9-20(25)10-8-17)28-24(30)21-15-27-23(19-5-3-2-4-6-19)29-22(21)18-11-13-26-14-12-18/h2-16H,1H3,(H,28,30).
What are the key properties of N-[1-(4-fluorophenyl)ethyl]-2-phenyl-4-pyridin-4-ylpyrimidine-5-carboxamide?
N-[1-(4-fluorophenyl)ethyl]-2-phenyl-4-pyridin-4-ylpyrimidine-5-carboxamide has a molecular weight of 398.44 g/mol, XLogP of 4.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)ethyl]-2-phenyl-4-pyridin-4-ylpyrimidine-5-carboxamide is sourced from PubChem (CID 53143559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).