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

C23H17FN4O — CID 53143528

IUPACN-(2-fluoro-5-methylphenyl)-2-phenyl-4-pyridin-4-ylpyrimidine-5-carboxamide
SMILESCc1ccc(F)c(NC(=O)c2cnc(-c3ccccc3)nc2-c2ccncc2)c1
InChIInChI=1S/C23H17FN4O/c1-15-7-8-19(24)20(13-15)27-23(29)18-14-26-22(17-5-3-2-4-6-17)28-21(18)16-9-11-25-12-10-16/h2-14H,1H3,(H,27,29)
InChIKeyKKPGJQDHCDKSKH-UHFFFAOYSA-N
MW384.41 g/mol
LogP4.91
Rot. Bonds4

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

N-(2-fluoro-5-methylphenyl)-2-phenyl-4-pyridin-4-ylpyrimidine-5-carboxamide (PubChem CID 53143528) has the molecular formula C23H17FN4O and a molecular weight of 384.41 g/mol. Its IUPAC name is N-(2-fluoro-5-methylphenyl)-2-phenyl-4-pyridin-4-ylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(2-fluoro-5-methylphenyl)-2-phenyl-4-pyridin-4-ylpyrimidine-5-carboxamide
PubChem CID53143528
Molecular FormulaC23H17FN4O
Molecular Weight384.41 g/mol
Exact Mass384.14
IUPAC NameN-(2-fluoro-5-methylphenyl)-2-phenyl-4-pyridin-4-ylpyrimidine-5-carboxamide
SMILESCc1ccc(F)c(NC(=O)c2cnc(-c3ccccc3)nc2-c2ccncc2)c1
InChIInChI=1S/C23H17FN4O/c1-15-7-8-19(24)20(13-15)27-23(29)18-14-26-22(17-5-3-2-4-6-17)28-21(18)16-9-11-25-12-10-16/h2-14H,1H3,(H,27,29)
InChIKeyKKPGJQDHCDKSKH-UHFFFAOYSA-N
XLogP4.91
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.41
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-5-methylphenyl)-2-phenyl-4-pyridin-4-ylpyrimidine-5-carboxamide?
The IUPAC name of N-(2-fluoro-5-methylphenyl)-2-phenyl-4-pyridin-4-ylpyrimidine-5-carboxamide (CID 53143528) is N-(2-fluoro-5-methylphenyl)-2-phenyl-4-pyridin-4-ylpyrimidine-5-carboxamide.
What is the SMILES notation for N-(2-fluoro-5-methylphenyl)-2-phenyl-4-pyridin-4-ylpyrimidine-5-carboxamide?
The canonical SMILES for N-(2-fluoro-5-methylphenyl)-2-phenyl-4-pyridin-4-ylpyrimidine-5-carboxamide is Cc1ccc(F)c(NC(=O)c2cnc(-c3ccccc3)nc2-c2ccncc2)c1.
What is the InChIKey of N-(2-fluoro-5-methylphenyl)-2-phenyl-4-pyridin-4-ylpyrimidine-5-carboxamide?
The InChIKey is KKPGJQDHCDKSKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17FN4O/c1-15-7-8-19(24)20(13-15)27-23(29)18-14-26-22(17-5-3-2-4-6-17)28-21(18)16-9-11-25-12-10-16/h2-14H,1H3,(H,27,29).
What are the key properties of N-(2-fluoro-5-methylphenyl)-2-phenyl-4-pyridin-4-ylpyrimidine-5-carboxamide?
N-(2-fluoro-5-methylphenyl)-2-phenyl-4-pyridin-4-ylpyrimidine-5-carboxamide has a molecular weight of 384.41 g/mol, XLogP of 4.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-5-methylphenyl)-2-phenyl-4-pyridin-4-ylpyrimidine-5-carboxamide is sourced from PubChem (CID 53143528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).