N-(4-fluoro-3-methylphenyl)-2-(4-fluorophenyl)-4-pyridin-4-ylpyrimidine-5-carboxamide

C23H16F2N4O — CID 53143686

IUPACN-(4-fluoro-3-methylphenyl)-2-(4-fluorophenyl)-4-pyridin-4-ylpyrimidine-5-carboxamide
SMILESCc1cc(NC(=O)c2cnc(-c3ccc(F)cc3)nc2-c2ccncc2)ccc1F
InChIInChI=1S/C23H16F2N4O/c1-14-12-18(6-7-20(14)25)28-23(30)19-13-27-22(16-2-4-17(24)5-3-16)29-21(19)15-8-10-26-11-9-15/h2-13H,1H3,(H,28,30)
InChIKeyTTWDJFUCZKILDI-UHFFFAOYSA-N
MW402.40 g/mol
LogP5.04
Rot. Bonds4

About N-(4-fluoro-3-methylphenyl)-2-(4-fluorophenyl)-4-pyridin-4-ylpyrimidine-5-carboxamide

N-(4-fluoro-3-methylphenyl)-2-(4-fluorophenyl)-4-pyridin-4-ylpyrimidine-5-carboxamide (PubChem CID 53143686) has the molecular formula C23H16F2N4O and a molecular weight of 402.40 g/mol. Its IUPAC name is N-(4-fluoro-3-methylphenyl)-2-(4-fluorophenyl)-4-pyridin-4-ylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(4-fluoro-3-methylphenyl)-2-(4-fluorophenyl)-4-pyridin-4-ylpyrimidine-5-carboxamide
PubChem CID53143686
Molecular FormulaC23H16F2N4O
Molecular Weight402.40 g/mol
Exact Mass402.13
IUPAC NameN-(4-fluoro-3-methylphenyl)-2-(4-fluorophenyl)-4-pyridin-4-ylpyrimidine-5-carboxamide
SMILESCc1cc(NC(=O)c2cnc(-c3ccc(F)cc3)nc2-c2ccncc2)ccc1F
InChIInChI=1S/C23H16F2N4O/c1-14-12-18(6-7-20(14)25)28-23(30)19-13-27-22(16-2-4-17(24)5-3-16)29-21(19)15-8-10-26-11-9-15/h2-13H,1H3,(H,28,30)
InChIKeyTTWDJFUCZKILDI-UHFFFAOYSA-N
XLogP5.04
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.40
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-3-methylphenyl)-2-(4-fluorophenyl)-4-pyridin-4-ylpyrimidine-5-carboxamide?
The IUPAC name of N-(4-fluoro-3-methylphenyl)-2-(4-fluorophenyl)-4-pyridin-4-ylpyrimidine-5-carboxamide (CID 53143686) is N-(4-fluoro-3-methylphenyl)-2-(4-fluorophenyl)-4-pyridin-4-ylpyrimidine-5-carboxamide.
What is the SMILES notation for N-(4-fluoro-3-methylphenyl)-2-(4-fluorophenyl)-4-pyridin-4-ylpyrimidine-5-carboxamide?
The canonical SMILES for N-(4-fluoro-3-methylphenyl)-2-(4-fluorophenyl)-4-pyridin-4-ylpyrimidine-5-carboxamide is Cc1cc(NC(=O)c2cnc(-c3ccc(F)cc3)nc2-c2ccncc2)ccc1F.
What is the InChIKey of N-(4-fluoro-3-methylphenyl)-2-(4-fluorophenyl)-4-pyridin-4-ylpyrimidine-5-carboxamide?
The InChIKey is TTWDJFUCZKILDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16F2N4O/c1-14-12-18(6-7-20(14)25)28-23(30)19-13-27-22(16-2-4-17(24)5-3-16)29-21(19)15-8-10-26-11-9-15/h2-13H,1H3,(H,28,30).
What are the key properties of N-(4-fluoro-3-methylphenyl)-2-(4-fluorophenyl)-4-pyridin-4-ylpyrimidine-5-carboxamide?
N-(4-fluoro-3-methylphenyl)-2-(4-fluorophenyl)-4-pyridin-4-ylpyrimidine-5-carboxamide has a molecular weight of 402.40 g/mol, XLogP of 5.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-3-methylphenyl)-2-(4-fluorophenyl)-4-pyridin-4-ylpyrimidine-5-carboxamide is sourced from PubChem (CID 53143686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).