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

C23H18N4O — CID 53143495

IUPACN-(4-methylphenyl)-2-phenyl-4-pyridin-4-ylpyrimidine-5-carboxamide
SMILESCc1ccc(NC(=O)c2cnc(-c3ccccc3)nc2-c2ccncc2)cc1
InChIInChI=1S/C23H18N4O/c1-16-7-9-19(10-8-16)26-23(28)20-15-25-22(18-5-3-2-4-6-18)27-21(20)17-11-13-24-14-12-17/h2-15H,1H3,(H,26,28)
InChIKeyFUMFUCOXRWAAME-UHFFFAOYSA-N
MW366.42 g/mol
LogP4.77
Rot. Bonds4

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

N-(4-methylphenyl)-2-phenyl-4-pyridin-4-ylpyrimidine-5-carboxamide (PubChem CID 53143495) has the molecular formula C23H18N4O and a molecular weight of 366.42 g/mol. Its IUPAC name is N-(4-methylphenyl)-2-phenyl-4-pyridin-4-ylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-2-phenyl-4-pyridin-4-ylpyrimidine-5-carboxamide
PubChem CID53143495
Molecular FormulaC23H18N4O
Molecular Weight366.42 g/mol
Exact Mass366.15
IUPAC NameN-(4-methylphenyl)-2-phenyl-4-pyridin-4-ylpyrimidine-5-carboxamide
SMILESCc1ccc(NC(=O)c2cnc(-c3ccccc3)nc2-c2ccncc2)cc1
InChIInChI=1S/C23H18N4O/c1-16-7-9-19(10-8-16)26-23(28)20-15-25-22(18-5-3-2-4-6-18)27-21(20)17-11-13-24-14-12-17/h2-15H,1H3,(H,26,28)
InChIKeyFUMFUCOXRWAAME-UHFFFAOYSA-N
XLogP4.77
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-2-phenyl-4-pyridin-4-ylpyrimidine-5-carboxamide?
The IUPAC name of N-(4-methylphenyl)-2-phenyl-4-pyridin-4-ylpyrimidine-5-carboxamide (CID 53143495) is N-(4-methylphenyl)-2-phenyl-4-pyridin-4-ylpyrimidine-5-carboxamide.
What is the SMILES notation for N-(4-methylphenyl)-2-phenyl-4-pyridin-4-ylpyrimidine-5-carboxamide?
The canonical SMILES for N-(4-methylphenyl)-2-phenyl-4-pyridin-4-ylpyrimidine-5-carboxamide is Cc1ccc(NC(=O)c2cnc(-c3ccccc3)nc2-c2ccncc2)cc1.
What is the InChIKey of N-(4-methylphenyl)-2-phenyl-4-pyridin-4-ylpyrimidine-5-carboxamide?
The InChIKey is FUMFUCOXRWAAME-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N4O/c1-16-7-9-19(10-8-16)26-23(28)20-15-25-22(18-5-3-2-4-6-18)27-21(20)17-11-13-24-14-12-17/h2-15H,1H3,(H,26,28).
What are the key properties of N-(4-methylphenyl)-2-phenyl-4-pyridin-4-ylpyrimidine-5-carboxamide?
N-(4-methylphenyl)-2-phenyl-4-pyridin-4-ylpyrimidine-5-carboxamide has a molecular weight of 366.42 g/mol, XLogP of 4.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-2-phenyl-4-pyridin-4-ylpyrimidine-5-carboxamide is sourced from PubChem (CID 53143495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).