N-[3-[5-(2-acetamido-4-pyridinyl)-2-methylsulfanyl-1H-imidazol-4-yl]phenyl]pyridine-4-carboxamide

C23H20N6O2S — CID 163228495

IUPACN-[3-[5-(2-acetamido-4-pyridinyl)-2-methylsulfanyl-1H-imidazol-4-yl]phenyl]pyridine-4-carboxamide
SMILESCSc1nc(-c2cccc(NC(=O)c3ccncc3)c2)c(-c2ccnc(NC(C)=O)c2)[nH]1
InChIInChI=1S/C23H20N6O2S/c1-14(30)26-19-13-17(8-11-25-19)21-20(28-23(29-21)32-2)16-4-3-5-18(12-16)27-22(31)15-6-9-24-10-7-15/h3-13H,1-2H3,(H,27,31)(H,28,29)(H,25,26,30)
InChIKeyVHCDUAZVYPQGSW-UHFFFAOYSA-N
MW444.52 g/mol
LogP4.47
Rot. Bonds6

About N-[3-[5-(2-acetamido-4-pyridinyl)-2-methylsulfanyl-1H-imidazol-4-yl]phenyl]pyridine-4-carboxamide

N-[3-[5-(2-acetamido-4-pyridinyl)-2-methylsulfanyl-1H-imidazol-4-yl]phenyl]pyridine-4-carboxamide (PubChem CID 163228495) has the molecular formula C23H20N6O2S and a molecular weight of 444.52 g/mol. Its IUPAC name is N-[3-[5-(2-acetamido-4-pyridinyl)-2-methylsulfanyl-1H-imidazol-4-yl]phenyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[3-[5-(2-acetamido-4-pyridinyl)-2-methylsulfanyl-1H-imidazol-4-yl]phenyl]pyridine-4-carboxamide
PubChem CID163228495
Molecular FormulaC23H20N6O2S
Molecular Weight444.52 g/mol
Exact Mass444.14
IUPAC NameN-[3-[5-(2-acetamido-4-pyridinyl)-2-methylsulfanyl-1H-imidazol-4-yl]phenyl]pyridine-4-carboxamide
SMILESCSc1nc(-c2cccc(NC(=O)c3ccncc3)c2)c(-c2ccnc(NC(C)=O)c2)[nH]1
InChIInChI=1S/C23H20N6O2S/c1-14(30)26-19-13-17(8-11-25-19)21-20(28-23(29-21)32-2)16-4-3-5-18(12-16)27-22(31)15-6-9-24-10-7-15/h3-13H,1-2H3,(H,27,31)(H,28,29)(H,25,26,30)
InChIKeyVHCDUAZVYPQGSW-UHFFFAOYSA-N
XLogP4.47
TPSA112.66 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.52
LogP ≤ 54.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-[5-(2-acetamido-4-pyridinyl)-2-methylsulfanyl-1H-imidazol-4-yl]phenyl]-2,6-difluorobenzamide
CID 163228493
N-[4-[2-methylsulfanyl-4-[3-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]-1H-imidazol-5-yl]-2-pyridinyl]acetamide
CID 163228644
N-[3-[5-(2-acetamido-4-pyridinyl)-2-methylsulfanyl-1H-imidazol-4-yl]phenyl]-2-fluoro-6-[(3-oxo-1H-isoindol-2-yl)methyl]benzamide
CID 163228664
N-(3-pyridin-4-ylphenyl)pyridine-4-carboxamide
CID 166320523
N-[3-[2-(4-methylthiophen-2-yl)-5-pyridin-4-yl-1H-imidazol-4-yl]phenyl]acetamide
CID 18771538
N-[3-[5-(2-acetamido-4-pyridinyl)-2-methylsulfanyl-1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]phenyl]-3,5-difluorobenzamide
CID 163228526
N-[3-[5-[2-[2-methoxy-5-(prop-2-enoylamino)anilino]-4-pyridinyl]-2-methylsulfanyl-1H-imidazol-4-yl]phenyl]-2-[(3-oxo-1H-isoindol-2-yl)methyl]benzamide
CID 163228500
(E)-N-[4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-2-pyridinyl]-3-(4-methoxyphenyl)prop-2-enamide
CID 52945955
N-[4-[5-(4-fluorophenyl)-2-[(R)-methylsulfinyl]-1H-imidazol-4-yl]-2-pyridinyl]acetamide
CID 53239062
N-[3-(5-methyl-1H-imidazol-4-yl)phenyl]benzamide
CID 110735763
N-[3-(1-methylpyrazol-4-yl)phenyl]pyridine-4-carboxamide
CID 110482049
N-[4-[3-(4-methylpyrimidin-2-yl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide
CID 121412061

Frequently Asked Questions

What is the IUPAC name of N-[3-[5-(2-acetamido-4-pyridinyl)-2-methylsulfanyl-1H-imidazol-4-yl]phenyl]pyridine-4-carboxamide?
The IUPAC name of N-[3-[5-(2-acetamido-4-pyridinyl)-2-methylsulfanyl-1H-imidazol-4-yl]phenyl]pyridine-4-carboxamide (CID 163228495) is N-[3-[5-(2-acetamido-4-pyridinyl)-2-methylsulfanyl-1H-imidazol-4-yl]phenyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[3-[5-(2-acetamido-4-pyridinyl)-2-methylsulfanyl-1H-imidazol-4-yl]phenyl]pyridine-4-carboxamide?
The canonical SMILES for N-[3-[5-(2-acetamido-4-pyridinyl)-2-methylsulfanyl-1H-imidazol-4-yl]phenyl]pyridine-4-carboxamide is CSc1nc(-c2cccc(NC(=O)c3ccncc3)c2)c(-c2ccnc(NC(C)=O)c2)[nH]1.
What is the InChIKey of N-[3-[5-(2-acetamido-4-pyridinyl)-2-methylsulfanyl-1H-imidazol-4-yl]phenyl]pyridine-4-carboxamide?
The InChIKey is VHCDUAZVYPQGSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N6O2S/c1-14(30)26-19-13-17(8-11-25-19)21-20(28-23(29-21)32-2)16-4-3-5-18(12-16)27-22(31)15-6-9-24-10-7-15/h3-13H,1-2H3,(H,27,31)(H,28,29)(H,25,26,30).
What are the key properties of N-[3-[5-(2-acetamido-4-pyridinyl)-2-methylsulfanyl-1H-imidazol-4-yl]phenyl]pyridine-4-carboxamide?
N-[3-[5-(2-acetamido-4-pyridinyl)-2-methylsulfanyl-1H-imidazol-4-yl]phenyl]pyridine-4-carboxamide has a molecular weight of 444.52 g/mol, XLogP of 4.47, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-(2-acetamido-4-pyridinyl)-2-methylsulfanyl-1H-imidazol-4-yl]phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 163228495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).