N,2-bis(4-fluorophenyl)-4-pyridin-4-ylpyrimidine-5-carboxamide

C22H14F2N4O — CID 53143706

IUPACN,2-bis(4-fluorophenyl)-4-pyridin-4-ylpyrimidine-5-carboxamide
SMILESO=C(Nc1ccc(F)cc1)c1cnc(-c2ccc(F)cc2)nc1-c1ccncc1
InChIInChI=1S/C22H14F2N4O/c23-16-3-1-15(2-4-16)21-26-13-19(20(28-21)14-9-11-25-12-10-14)22(29)27-18-7-5-17(24)6-8-18/h1-13H,(H,27,29)
InChIKeyPXWBJTPAPDQJLP-UHFFFAOYSA-N
MW388.38 g/mol
LogP4.74
Rot. Bonds4

About N,2-bis(4-fluorophenyl)-4-pyridin-4-ylpyrimidine-5-carboxamide

N,2-bis(4-fluorophenyl)-4-pyridin-4-ylpyrimidine-5-carboxamide (PubChem CID 53143706) has the molecular formula C22H14F2N4O and a molecular weight of 388.38 g/mol. Its IUPAC name is N,2-bis(4-fluorophenyl)-4-pyridin-4-ylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN,2-bis(4-fluorophenyl)-4-pyridin-4-ylpyrimidine-5-carboxamide
PubChem CID53143706
Molecular FormulaC22H14F2N4O
Molecular Weight388.38 g/mol
Exact Mass388.11
IUPAC NameN,2-bis(4-fluorophenyl)-4-pyridin-4-ylpyrimidine-5-carboxamide
SMILESO=C(Nc1ccc(F)cc1)c1cnc(-c2ccc(F)cc2)nc1-c1ccncc1
InChIInChI=1S/C22H14F2N4O/c23-16-3-1-15(2-4-16)21-26-13-19(20(28-21)14-9-11-25-12-10-14)22(29)27-18-7-5-17(24)6-8-18/h1-13H,(H,27,29)
InChIKeyPXWBJTPAPDQJLP-UHFFFAOYSA-N
XLogP4.74
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.38
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,2-bis(4-fluorophenyl)-4-pyridin-4-ylpyrimidine-5-carboxamide?
The IUPAC name of N,2-bis(4-fluorophenyl)-4-pyridin-4-ylpyrimidine-5-carboxamide (CID 53143706) is N,2-bis(4-fluorophenyl)-4-pyridin-4-ylpyrimidine-5-carboxamide.
What is the SMILES notation for N,2-bis(4-fluorophenyl)-4-pyridin-4-ylpyrimidine-5-carboxamide?
The canonical SMILES for N,2-bis(4-fluorophenyl)-4-pyridin-4-ylpyrimidine-5-carboxamide is O=C(Nc1ccc(F)cc1)c1cnc(-c2ccc(F)cc2)nc1-c1ccncc1.
What is the InChIKey of N,2-bis(4-fluorophenyl)-4-pyridin-4-ylpyrimidine-5-carboxamide?
The InChIKey is PXWBJTPAPDQJLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14F2N4O/c23-16-3-1-15(2-4-16)21-26-13-19(20(28-21)14-9-11-25-12-10-14)22(29)27-18-7-5-17(24)6-8-18/h1-13H,(H,27,29).
What are the key properties of N,2-bis(4-fluorophenyl)-4-pyridin-4-ylpyrimidine-5-carboxamide?
N,2-bis(4-fluorophenyl)-4-pyridin-4-ylpyrimidine-5-carboxamide has a molecular weight of 388.38 g/mol, XLogP of 4.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-bis(4-fluorophenyl)-4-pyridin-4-ylpyrimidine-5-carboxamide is sourced from PubChem (CID 53143706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).