N-(3-methylphenyl)-2-phenyl-4-pyridin-4-ylpyrimidine-5-carboxamide

C23H18N4O — CID 53143497

IUPACN-(3-methylphenyl)-2-phenyl-4-pyridin-4-ylpyrimidine-5-carboxamide
SMILESCc1cccc(NC(=O)c2cnc(-c3ccccc3)nc2-c2ccncc2)c1
InChIInChI=1S/C23H18N4O/c1-16-6-5-9-19(14-16)26-23(28)20-15-25-22(18-7-3-2-4-8-18)27-21(20)17-10-12-24-13-11-17/h2-15H,1H3,(H,26,28)
InChIKeyFYWGMTVWKCTFHG-UHFFFAOYSA-N
MW366.42 g/mol
LogP4.77
Rot. Bonds4

About N-(3-methylphenyl)-2-phenyl-4-pyridin-4-ylpyrimidine-5-carboxamide

N-(3-methylphenyl)-2-phenyl-4-pyridin-4-ylpyrimidine-5-carboxamide (PubChem CID 53143497) has the molecular formula C23H18N4O and a molecular weight of 366.42 g/mol. Its IUPAC name is N-(3-methylphenyl)-2-phenyl-4-pyridin-4-ylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(3-methylphenyl)-2-phenyl-4-pyridin-4-ylpyrimidine-5-carboxamide
PubChem CID53143497
Molecular FormulaC23H18N4O
Molecular Weight366.42 g/mol
Exact Mass366.15
IUPAC NameN-(3-methylphenyl)-2-phenyl-4-pyridin-4-ylpyrimidine-5-carboxamide
SMILESCc1cccc(NC(=O)c2cnc(-c3ccccc3)nc2-c2ccncc2)c1
InChIInChI=1S/C23H18N4O/c1-16-6-5-9-19(14-16)26-23(28)20-15-25-22(18-7-3-2-4-8-18)27-21(20)17-10-12-24-13-11-17/h2-15H,1H3,(H,26,28)
InChIKeyFYWGMTVWKCTFHG-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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Related Compounds

N-(4-methylphenyl)-2-phenyl-4-pyridin-4-ylpyrimidine-5-carboxamide
CID 53143495
N-(2-fluoro-5-methylphenyl)-2-phenyl-4-pyridin-4-ylpyrimidine-5-carboxamide
CID 53143528
N-(3-methoxyphenyl)-2-(4-methoxyphenyl)-4-pyridin-4-ylpyrimidine-5-carboxamide
CID 53143637
N-(3-methylphenyl)-2-phenylpyrimidine-5-carboxamide
CID 3634035
2-(4-methylphenyl)-N-(2-methylsulfanylphenyl)-4-pyridin-4-ylpyrimidine-5-carboxamide
CID 53143621
N,2-bis(4-methoxyphenyl)-4-pyridin-4-ylpyrimidine-5-carboxamide
CID 53143638
N-(3-acetamidophenyl)-4-methyl-2-phenylpyrimidine-5-carboxamide
CID 96596105
N-(4-fluoro-3-methylphenyl)-2-(4-fluorophenyl)-4-pyridin-4-ylpyrimidine-5-carboxamide
CID 53143686
2-(4-fluorophenyl)-N-(2-methylphenyl)-4-pyridin-4-ylpyrimidine-5-carboxamide
CID 53143659
N-(3-cyanophenyl)-4-methyl-2-phenylpyrimidine-5-carboxamide
CID 110864853
N-[1-(4-fluorophenyl)ethyl]-2-phenyl-4-pyridin-4-ylpyrimidine-5-carboxamide
CID 53143559
2-(4-methylphenyl)-4-pyridin-4-yl-N-(1-pyridin-2-ylethyl)pyrimidine-5-carboxamide
CID 53200674

Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-2-phenyl-4-pyridin-4-ylpyrimidine-5-carboxamide?
The IUPAC name of N-(3-methylphenyl)-2-phenyl-4-pyridin-4-ylpyrimidine-5-carboxamide (CID 53143497) is N-(3-methylphenyl)-2-phenyl-4-pyridin-4-ylpyrimidine-5-carboxamide.
What is the SMILES notation for N-(3-methylphenyl)-2-phenyl-4-pyridin-4-ylpyrimidine-5-carboxamide?
The canonical SMILES for N-(3-methylphenyl)-2-phenyl-4-pyridin-4-ylpyrimidine-5-carboxamide is Cc1cccc(NC(=O)c2cnc(-c3ccccc3)nc2-c2ccncc2)c1.
What is the InChIKey of N-(3-methylphenyl)-2-phenyl-4-pyridin-4-ylpyrimidine-5-carboxamide?
The InChIKey is FYWGMTVWKCTFHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N4O/c1-16-6-5-9-19(14-16)26-23(28)20-15-25-22(18-7-3-2-4-8-18)27-21(20)17-10-12-24-13-11-17/h2-15H,1H3,(H,26,28).
What are the key properties of N-(3-methylphenyl)-2-phenyl-4-pyridin-4-ylpyrimidine-5-carboxamide?
N-(3-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-(3-methylphenyl)-2-phenyl-4-pyridin-4-ylpyrimidine-5-carboxamide is sourced from PubChem (CID 53143497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).