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

C18H16N4OS — CID 143426015

IUPACN-(4-methylphenyl)-4-methylsulfanyl-2-pyridin-4-ylpyrimidine-5-carboxamide
SMILESCSc1nc(-c2ccncc2)ncc1C(=O)Nc1ccc(C)cc1
InChIInChI=1S/C18H16N4OS/c1-12-3-5-14(6-4-12)21-17(23)15-11-20-16(22-18(15)24-2)13-7-9-19-10-8-13/h3-11H,1-2H3,(H,21,23)
InChIKeyNGLKEWGSPIQVAO-UHFFFAOYSA-N
MW336.42 g/mol
LogP3.82
Rot. Bonds4

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

N-(4-methylphenyl)-4-methylsulfanyl-2-pyridin-4-ylpyrimidine-5-carboxamide (PubChem CID 143426015) has the molecular formula C18H16N4OS and a molecular weight of 336.42 g/mol. Its IUPAC name is N-(4-methylphenyl)-4-methylsulfanyl-2-pyridin-4-ylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-4-methylsulfanyl-2-pyridin-4-ylpyrimidine-5-carboxamide
PubChem CID143426015
Molecular FormulaC18H16N4OS
Molecular Weight336.42 g/mol
Exact Mass336.10
IUPAC NameN-(4-methylphenyl)-4-methylsulfanyl-2-pyridin-4-ylpyrimidine-5-carboxamide
SMILESCSc1nc(-c2ccncc2)ncc1C(=O)Nc1ccc(C)cc1
InChIInChI=1S/C18H16N4OS/c1-12-3-5-14(6-4-12)21-17(23)15-11-20-16(22-18(15)24-2)13-7-9-19-10-8-13/h3-11H,1-2H3,(H,21,23)
InChIKeyNGLKEWGSPIQVAO-UHFFFAOYSA-N
XLogP3.82
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.42
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-methylphenyl)-2-phenyl-4-pyridin-4-ylpyrimidine-5-carboxamide
CID 53143495
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-(4-fluoro-3-methylphenyl)-2-(4-fluorophenyl)-4-pyridin-4-ylpyrimidine-5-carboxamide
CID 53143686
N-(3-methylphenyl)-2-phenyl-4-pyridin-4-ylpyrimidine-5-carboxamide
CID 53143497
N-(3,4-dimethoxyphenyl)-4-methyl-2-(4-methylphenyl)pyrimidine-5-carboxamide
CID 53080300
N-(2-fluoro-5-methylphenyl)-2-phenyl-4-pyridin-4-ylpyrimidine-5-carboxamide
CID 53143528
N-(4-methylphenyl)pyridine-4-carboxamide;propane
CID 142028273
N-(4-iodophenyl)-7-methyl-2-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 56766287
2-(4-fluorophenyl)-N-(2-methylphenyl)-4-pyridin-4-ylpyrimidine-5-carboxamide
CID 53143659
N-(3-methoxyphenyl)-2-(4-methoxyphenyl)-4-pyridin-4-ylpyrimidine-5-carboxamide
CID 53143637
1-N,4-N-bis(4-pyridin-4-ylphenyl)benzene-1,4-dicarboxamide
CID 171423296

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-4-methylsulfanyl-2-pyridin-4-ylpyrimidine-5-carboxamide?
The IUPAC name of N-(4-methylphenyl)-4-methylsulfanyl-2-pyridin-4-ylpyrimidine-5-carboxamide (CID 143426015) is N-(4-methylphenyl)-4-methylsulfanyl-2-pyridin-4-ylpyrimidine-5-carboxamide.
What is the SMILES notation for N-(4-methylphenyl)-4-methylsulfanyl-2-pyridin-4-ylpyrimidine-5-carboxamide?
The canonical SMILES for N-(4-methylphenyl)-4-methylsulfanyl-2-pyridin-4-ylpyrimidine-5-carboxamide is CSc1nc(-c2ccncc2)ncc1C(=O)Nc1ccc(C)cc1.
What is the InChIKey of N-(4-methylphenyl)-4-methylsulfanyl-2-pyridin-4-ylpyrimidine-5-carboxamide?
The InChIKey is NGLKEWGSPIQVAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4OS/c1-12-3-5-14(6-4-12)21-17(23)15-11-20-16(22-18(15)24-2)13-7-9-19-10-8-13/h3-11H,1-2H3,(H,21,23).
What are the key properties of N-(4-methylphenyl)-4-methylsulfanyl-2-pyridin-4-ylpyrimidine-5-carboxamide?
N-(4-methylphenyl)-4-methylsulfanyl-2-pyridin-4-ylpyrimidine-5-carboxamide has a molecular weight of 336.42 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-4-methylsulfanyl-2-pyridin-4-ylpyrimidine-5-carboxamide is sourced from PubChem (CID 143426015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).