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

C24H19FN4O3 — CID 53143699

IUPACN-(3,5-dimethoxyphenyl)-2-(4-fluorophenyl)-4-pyridin-4-ylpyrimidine-5-carboxamide
SMILESCOc1cc(NC(=O)c2cnc(-c3ccc(F)cc3)nc2-c2ccncc2)cc(OC)c1
InChIInChI=1S/C24H19FN4O3/c1-31-19-11-18(12-20(13-19)32-2)28-24(30)21-14-27-23(16-3-5-17(25)6-4-16)29-22(21)15-7-9-26-10-8-15/h3-14H,1-2H3,(H,28,30)
InChIKeyFAOHZJYEKQKATI-UHFFFAOYSA-N
MW430.44 g/mol
LogP4.61
Rot. Bonds6

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

N-(3,5-dimethoxyphenyl)-2-(4-fluorophenyl)-4-pyridin-4-ylpyrimidine-5-carboxamide (PubChem CID 53143699) has the molecular formula C24H19FN4O3 and a molecular weight of 430.44 g/mol. Its IUPAC name is N-(3,5-dimethoxyphenyl)-2-(4-fluorophenyl)-4-pyridin-4-ylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(3,5-dimethoxyphenyl)-2-(4-fluorophenyl)-4-pyridin-4-ylpyrimidine-5-carboxamide
PubChem CID53143699
Molecular FormulaC24H19FN4O3
Molecular Weight430.44 g/mol
Exact Mass430.14
IUPAC NameN-(3,5-dimethoxyphenyl)-2-(4-fluorophenyl)-4-pyridin-4-ylpyrimidine-5-carboxamide
SMILESCOc1cc(NC(=O)c2cnc(-c3ccc(F)cc3)nc2-c2ccncc2)cc(OC)c1
InChIInChI=1S/C24H19FN4O3/c1-31-19-11-18(12-20(13-19)32-2)28-24(30)21-14-27-23(16-3-5-17(25)6-4-16)29-22(21)15-7-9-26-10-8-15/h3-14H,1-2H3,(H,28,30)
InChIKeyFAOHZJYEKQKATI-UHFFFAOYSA-N
XLogP4.61
TPSA86.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.44
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethoxyphenyl)-2-(4-fluorophenyl)-4-pyridin-4-ylpyrimidine-5-carboxamide?
The IUPAC name of N-(3,5-dimethoxyphenyl)-2-(4-fluorophenyl)-4-pyridin-4-ylpyrimidine-5-carboxamide (CID 53143699) is N-(3,5-dimethoxyphenyl)-2-(4-fluorophenyl)-4-pyridin-4-ylpyrimidine-5-carboxamide.
What is the SMILES notation for N-(3,5-dimethoxyphenyl)-2-(4-fluorophenyl)-4-pyridin-4-ylpyrimidine-5-carboxamide?
The canonical SMILES for N-(3,5-dimethoxyphenyl)-2-(4-fluorophenyl)-4-pyridin-4-ylpyrimidine-5-carboxamide is COc1cc(NC(=O)c2cnc(-c3ccc(F)cc3)nc2-c2ccncc2)cc(OC)c1.
What is the InChIKey of N-(3,5-dimethoxyphenyl)-2-(4-fluorophenyl)-4-pyridin-4-ylpyrimidine-5-carboxamide?
The InChIKey is FAOHZJYEKQKATI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19FN4O3/c1-31-19-11-18(12-20(13-19)32-2)28-24(30)21-14-27-23(16-3-5-17(25)6-4-16)29-22(21)15-7-9-26-10-8-15/h3-14H,1-2H3,(H,28,30).
What are the key properties of N-(3,5-dimethoxyphenyl)-2-(4-fluorophenyl)-4-pyridin-4-ylpyrimidine-5-carboxamide?
N-(3,5-dimethoxyphenyl)-2-(4-fluorophenyl)-4-pyridin-4-ylpyrimidine-5-carboxamide has a molecular weight of 430.44 g/mol, XLogP of 4.61, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethoxyphenyl)-2-(4-fluorophenyl)-4-pyridin-4-ylpyrimidine-5-carboxamide is sourced from PubChem (CID 53143699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).