N-(3,5-difluorophenyl)-2-(4-fluorophenyl)-4-pyridin-4-ylpyrimidine-5-carboxamide

C22H13F3N4O — CID 53143678

IUPACN-(3,5-difluorophenyl)-2-(4-fluorophenyl)-4-pyridin-4-ylpyrimidine-5-carboxamide
SMILESO=C(Nc1cc(F)cc(F)c1)c1cnc(-c2ccc(F)cc2)nc1-c1ccncc1
InChIInChI=1S/C22H13F3N4O/c23-15-3-1-14(2-4-15)21-27-12-19(20(29-21)13-5-7-26-8-6-13)22(30)28-18-10-16(24)9-17(25)11-18/h1-12H,(H,28,30)
InChIKeyRXTPKYVOIFXZOO-UHFFFAOYSA-N
MW406.37 g/mol
LogP4.88
Rot. Bonds4

About N-(3,5-difluorophenyl)-2-(4-fluorophenyl)-4-pyridin-4-ylpyrimidine-5-carboxamide

N-(3,5-difluorophenyl)-2-(4-fluorophenyl)-4-pyridin-4-ylpyrimidine-5-carboxamide (PubChem CID 53143678) has the molecular formula C22H13F3N4O and a molecular weight of 406.37 g/mol. Its IUPAC name is N-(3,5-difluorophenyl)-2-(4-fluorophenyl)-4-pyridin-4-ylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(3,5-difluorophenyl)-2-(4-fluorophenyl)-4-pyridin-4-ylpyrimidine-5-carboxamide
PubChem CID53143678
Molecular FormulaC22H13F3N4O
Molecular Weight406.37 g/mol
Exact Mass406.10
IUPAC NameN-(3,5-difluorophenyl)-2-(4-fluorophenyl)-4-pyridin-4-ylpyrimidine-5-carboxamide
SMILESO=C(Nc1cc(F)cc(F)c1)c1cnc(-c2ccc(F)cc2)nc1-c1ccncc1
InChIInChI=1S/C22H13F3N4O/c23-15-3-1-14(2-4-15)21-27-12-19(20(29-21)13-5-7-26-8-6-13)22(30)28-18-10-16(24)9-17(25)11-18/h1-12H,(H,28,30)
InChIKeyRXTPKYVOIFXZOO-UHFFFAOYSA-N
XLogP4.88
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.37
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-difluorophenyl)-2-(4-fluorophenyl)-4-pyridin-4-ylpyrimidine-5-carboxamide?
The IUPAC name of N-(3,5-difluorophenyl)-2-(4-fluorophenyl)-4-pyridin-4-ylpyrimidine-5-carboxamide (CID 53143678) is N-(3,5-difluorophenyl)-2-(4-fluorophenyl)-4-pyridin-4-ylpyrimidine-5-carboxamide.
What is the SMILES notation for N-(3,5-difluorophenyl)-2-(4-fluorophenyl)-4-pyridin-4-ylpyrimidine-5-carboxamide?
The canonical SMILES for N-(3,5-difluorophenyl)-2-(4-fluorophenyl)-4-pyridin-4-ylpyrimidine-5-carboxamide is O=C(Nc1cc(F)cc(F)c1)c1cnc(-c2ccc(F)cc2)nc1-c1ccncc1.
What is the InChIKey of N-(3,5-difluorophenyl)-2-(4-fluorophenyl)-4-pyridin-4-ylpyrimidine-5-carboxamide?
The InChIKey is RXTPKYVOIFXZOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H13F3N4O/c23-15-3-1-14(2-4-15)21-27-12-19(20(29-21)13-5-7-26-8-6-13)22(30)28-18-10-16(24)9-17(25)11-18/h1-12H,(H,28,30).
What are the key properties of N-(3,5-difluorophenyl)-2-(4-fluorophenyl)-4-pyridin-4-ylpyrimidine-5-carboxamide?
N-(3,5-difluorophenyl)-2-(4-fluorophenyl)-4-pyridin-4-ylpyrimidine-5-carboxamide has a molecular weight of 406.37 g/mol, XLogP of 4.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-difluorophenyl)-2-(4-fluorophenyl)-4-pyridin-4-ylpyrimidine-5-carboxamide is sourced from PubChem (CID 53143678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).