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

C24H20N4OS — CID 53143621

IUPAC2-(4-methylphenyl)-N-(2-methylsulfanylphenyl)-4-pyridin-4-ylpyrimidine-5-carboxamide
SMILESCSc1ccccc1NC(=O)c1cnc(-c2ccc(C)cc2)nc1-c1ccncc1
InChIInChI=1S/C24H20N4OS/c1-16-7-9-18(10-8-16)23-26-15-19(22(28-23)17-11-13-25-14-12-17)24(29)27-20-5-3-4-6-21(20)30-2/h3-15H,1-2H3,(H,27,29)
InChIKeyQQVTVDIVSUZRLZ-UHFFFAOYSA-N
MW412.52 g/mol
LogP5.49
Rot. Bonds5

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

2-(4-methylphenyl)-N-(2-methylsulfanylphenyl)-4-pyridin-4-ylpyrimidine-5-carboxamide (PubChem CID 53143621) has the molecular formula C24H20N4OS and a molecular weight of 412.52 g/mol. Its IUPAC name is 2-(4-methylphenyl)-N-(2-methylsulfanylphenyl)-4-pyridin-4-ylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(4-methylphenyl)-N-(2-methylsulfanylphenyl)-4-pyridin-4-ylpyrimidine-5-carboxamide
PubChem CID53143621
Molecular FormulaC24H20N4OS
Molecular Weight412.52 g/mol
Exact Mass412.14
IUPAC Name2-(4-methylphenyl)-N-(2-methylsulfanylphenyl)-4-pyridin-4-ylpyrimidine-5-carboxamide
SMILESCSc1ccccc1NC(=O)c1cnc(-c2ccc(C)cc2)nc1-c1ccncc1
InChIInChI=1S/C24H20N4OS/c1-16-7-9-18(10-8-16)23-26-15-19(22(28-23)17-11-13-25-14-12-17)24(29)27-20-5-3-4-6-21(20)30-2/h3-15H,1-2H3,(H,27,29)
InChIKeyQQVTVDIVSUZRLZ-UHFFFAOYSA-N
XLogP5.49
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.52
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-fluorophenyl)-N-(2-methylphenyl)-4-pyridin-4-ylpyrimidine-5-carboxamide
CID 53143659
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-methylphenyl)-2-phenyl-4-pyridin-4-ylpyrimidine-5-carboxamide
CID 53143497
2-(4-methylphenyl)-4-pyridin-4-yl-N-(1-pyridin-2-ylethyl)pyrimidine-5-carboxamide
CID 53200674
N-(4-methylphenyl)-4-methylsulfanyl-2-pyridin-4-ylpyrimidine-5-carboxamide
CID 143426015
N-(4-fluoro-2-methylphenyl)-2-(4-methoxyphenyl)-4-pyridin-4-ylpyrimidine-5-carboxamide
CID 53143644
N,2-bis(4-methoxyphenyl)-4-pyridin-4-ylpyrimidine-5-carboxamide
CID 53143638
N-(2-methylsulfanylphenyl)pyridine-4-carboxamide
CID 1244343
N-(cyclopropylmethyl)-2-(4-methylphenyl)-4-pyridin-4-ylpyrimidine-5-carboxamide
CID 53143618
N-(4-fluoro-3-methylphenyl)-2-(4-fluorophenyl)-4-pyridin-4-ylpyrimidine-5-carboxamide
CID 53143686
N-(3-methoxyphenyl)-2-(4-methoxyphenyl)-4-pyridin-4-ylpyrimidine-5-carboxamide
CID 53143637

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-N-(2-methylsulfanylphenyl)-4-pyridin-4-ylpyrimidine-5-carboxamide?
The IUPAC name of 2-(4-methylphenyl)-N-(2-methylsulfanylphenyl)-4-pyridin-4-ylpyrimidine-5-carboxamide (CID 53143621) is 2-(4-methylphenyl)-N-(2-methylsulfanylphenyl)-4-pyridin-4-ylpyrimidine-5-carboxamide.
What is the SMILES notation for 2-(4-methylphenyl)-N-(2-methylsulfanylphenyl)-4-pyridin-4-ylpyrimidine-5-carboxamide?
The canonical SMILES for 2-(4-methylphenyl)-N-(2-methylsulfanylphenyl)-4-pyridin-4-ylpyrimidine-5-carboxamide is CSc1ccccc1NC(=O)c1cnc(-c2ccc(C)cc2)nc1-c1ccncc1.
What is the InChIKey of 2-(4-methylphenyl)-N-(2-methylsulfanylphenyl)-4-pyridin-4-ylpyrimidine-5-carboxamide?
The InChIKey is QQVTVDIVSUZRLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4OS/c1-16-7-9-18(10-8-16)23-26-15-19(22(28-23)17-11-13-25-14-12-17)24(29)27-20-5-3-4-6-21(20)30-2/h3-15H,1-2H3,(H,27,29).
What are the key properties of 2-(4-methylphenyl)-N-(2-methylsulfanylphenyl)-4-pyridin-4-ylpyrimidine-5-carboxamide?
2-(4-methylphenyl)-N-(2-methylsulfanylphenyl)-4-pyridin-4-ylpyrimidine-5-carboxamide has a molecular weight of 412.52 g/mol, XLogP of 5.49, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-N-(2-methylsulfanylphenyl)-4-pyridin-4-ylpyrimidine-5-carboxamide is sourced from PubChem (CID 53143621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).