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

C23H16F2N4O — CID 53143687

IUPACN-(3-fluoro-2-methylphenyl)-2-(4-fluorophenyl)-4-pyridin-4-ylpyrimidine-5-carboxamide
SMILESCc1c(F)cccc1NC(=O)c1cnc(-c2ccc(F)cc2)nc1-c1ccncc1
InChIInChI=1S/C23H16F2N4O/c1-14-19(25)3-2-4-20(14)28-23(30)18-13-27-22(16-5-7-17(24)8-6-16)29-21(18)15-9-11-26-12-10-15/h2-13H,1H3,(H,28,30)
InChIKeyYICRCGWUXVKUJW-UHFFFAOYSA-N
MW402.40 g/mol
LogP5.04
Rot. Bonds4

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

N-(3-fluoro-2-methylphenyl)-2-(4-fluorophenyl)-4-pyridin-4-ylpyrimidine-5-carboxamide (PubChem CID 53143687) has the molecular formula C23H16F2N4O and a molecular weight of 402.40 g/mol. Its IUPAC name is N-(3-fluoro-2-methylphenyl)-2-(4-fluorophenyl)-4-pyridin-4-ylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(3-fluoro-2-methylphenyl)-2-(4-fluorophenyl)-4-pyridin-4-ylpyrimidine-5-carboxamide
PubChem CID53143687
Molecular FormulaC23H16F2N4O
Molecular Weight402.40 g/mol
Exact Mass402.13
IUPAC NameN-(3-fluoro-2-methylphenyl)-2-(4-fluorophenyl)-4-pyridin-4-ylpyrimidine-5-carboxamide
SMILESCc1c(F)cccc1NC(=O)c1cnc(-c2ccc(F)cc2)nc1-c1ccncc1
InChIInChI=1S/C23H16F2N4O/c1-14-19(25)3-2-4-20(14)28-23(30)18-13-27-22(16-5-7-17(24)8-6-16)29-21(18)15-9-11-26-12-10-15/h2-13H,1H3,(H,28,30)
InChIKeyYICRCGWUXVKUJW-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-(3-fluoro-2-methylphenyl)-2-(4-fluorophenyl)-4-pyridin-4-ylpyrimidine-5-carboxamide?
The IUPAC name of N-(3-fluoro-2-methylphenyl)-2-(4-fluorophenyl)-4-pyridin-4-ylpyrimidine-5-carboxamide (CID 53143687) is N-(3-fluoro-2-methylphenyl)-2-(4-fluorophenyl)-4-pyridin-4-ylpyrimidine-5-carboxamide.
What is the SMILES notation for N-(3-fluoro-2-methylphenyl)-2-(4-fluorophenyl)-4-pyridin-4-ylpyrimidine-5-carboxamide?
The canonical SMILES for N-(3-fluoro-2-methylphenyl)-2-(4-fluorophenyl)-4-pyridin-4-ylpyrimidine-5-carboxamide is Cc1c(F)cccc1NC(=O)c1cnc(-c2ccc(F)cc2)nc1-c1ccncc1.
What is the InChIKey of N-(3-fluoro-2-methylphenyl)-2-(4-fluorophenyl)-4-pyridin-4-ylpyrimidine-5-carboxamide?
The InChIKey is YICRCGWUXVKUJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16F2N4O/c1-14-19(25)3-2-4-20(14)28-23(30)18-13-27-22(16-5-7-17(24)8-6-16)29-21(18)15-9-11-26-12-10-15/h2-13H,1H3,(H,28,30).
What are the key properties of N-(3-fluoro-2-methylphenyl)-2-(4-fluorophenyl)-4-pyridin-4-ylpyrimidine-5-carboxamide?
N-(3-fluoro-2-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-(3-fluoro-2-methylphenyl)-2-(4-fluorophenyl)-4-pyridin-4-ylpyrimidine-5-carboxamide is sourced from PubChem (CID 53143687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).