4-(2-methylsulfanylimidazol-1-yl)-N-(6-piperidin-1-yl-3-pyridinyl)benzamide

C21H23N5OS — CID 47045704

IUPAC4-(2-methylsulfanylimidazol-1-yl)-N-(6-piperidin-1-yl-3-pyridinyl)benzamide
SMILESCSc1nccn1-c1ccc(C(=O)Nc2ccc(N3CCCCC3)nc2)cc1
InChIInChI=1S/C21H23N5OS/c1-28-21-22-11-14-26(21)18-8-5-16(6-9-18)20(27)24-17-7-10-19(23-15-17)25-12-3-2-4-13-25/h5-11,14-15H,2-4,12-13H2,1H3,(H,24,27)
InChIKeyFSZPZPFRHRDEJL-UHFFFAOYSA-N
MW393.52 g/mol
LogP4.23
Rot. Bonds5

About 4-(2-methylsulfanylimidazol-1-yl)-N-(6-piperidin-1-yl-3-pyridinyl)benzamide

4-(2-methylsulfanylimidazol-1-yl)-N-(6-piperidin-1-yl-3-pyridinyl)benzamide (PubChem CID 47045704) has the molecular formula C21H23N5OS and a molecular weight of 393.52 g/mol. Its IUPAC name is 4-(2-methylsulfanylimidazol-1-yl)-N-(6-piperidin-1-yl-3-pyridinyl)benzamide.

Molecular Properties

Compound Name4-(2-methylsulfanylimidazol-1-yl)-N-(6-piperidin-1-yl-3-pyridinyl)benzamide
PubChem CID47045704
Molecular FormulaC21H23N5OS
Molecular Weight393.52 g/mol
Exact Mass393.16
IUPAC Name4-(2-methylsulfanylimidazol-1-yl)-N-(6-piperidin-1-yl-3-pyridinyl)benzamide
SMILESCSc1nccn1-c1ccc(C(=O)Nc2ccc(N3CCCCC3)nc2)cc1
InChIInChI=1S/C21H23N5OS/c1-28-21-22-11-14-26(21)18-8-5-16(6-9-18)20(27)24-17-7-10-19(23-15-17)25-12-3-2-4-13-25/h5-11,14-15H,2-4,12-13H2,1H3,(H,24,27)
InChIKeyFSZPZPFRHRDEJL-UHFFFAOYSA-N
XLogP4.23
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.52
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(2-methylsulfanylimidazol-1-yl)-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]benzamide
CID 51117639
N-[6-(azepan-1-yl)-3-pyridinyl]-4-fluorobenzamide
CID 113015884
N-[6-(azepan-1-yl)-3-pyridinyl]-4-methoxybenzamide
CID 113015890
4-amino-N-(6-pyrrolidin-1-yl-3-pyridinyl)benzamide
CID 43704451
4-ethoxy-N-(6-pyrrolidin-1-yl-3-pyridinyl)benzamide
CID 41303356
N-(6-piperidin-1-yl-3-pyridinyl)-4-sulfamoylbenzamide
CID 55502246
N-(6-amino-3-pyridinyl)-6-(azepan-1-yl)pyridine-3-carboxamide
CID 119515290
N-[6-(azepan-1-yl)-3-pyridinyl]-4-methyl-3-(4-methylsulfanylphenyl)benzamide
CID 24775272
6-(cyclopropylamino)-N-(6-piperidin-1-yl-3-pyridinyl)pyridine-3-carboxamide
CID 56799221
4-(benzenesulfonamido)-N-(6-pyrrolidin-1-yl-3-pyridinyl)benzamide
CID 30217600
N-(6-piperidin-1-yl-3-pyridinyl)-2H-benzotriazole-5-carboxamide
CID 18144011
N-[6-(azepan-1-yl)-3-pyridinyl]-2,2-dimethylpropanamide
CID 113015875

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylsulfanylimidazol-1-yl)-N-(6-piperidin-1-yl-3-pyridinyl)benzamide?
The IUPAC name of 4-(2-methylsulfanylimidazol-1-yl)-N-(6-piperidin-1-yl-3-pyridinyl)benzamide (CID 47045704) is 4-(2-methylsulfanylimidazol-1-yl)-N-(6-piperidin-1-yl-3-pyridinyl)benzamide.
What is the SMILES notation for 4-(2-methylsulfanylimidazol-1-yl)-N-(6-piperidin-1-yl-3-pyridinyl)benzamide?
The canonical SMILES for 4-(2-methylsulfanylimidazol-1-yl)-N-(6-piperidin-1-yl-3-pyridinyl)benzamide is CSc1nccn1-c1ccc(C(=O)Nc2ccc(N3CCCCC3)nc2)cc1.
What is the InChIKey of 4-(2-methylsulfanylimidazol-1-yl)-N-(6-piperidin-1-yl-3-pyridinyl)benzamide?
The InChIKey is FSZPZPFRHRDEJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5OS/c1-28-21-22-11-14-26(21)18-8-5-16(6-9-18)20(27)24-17-7-10-19(23-15-17)25-12-3-2-4-13-25/h5-11,14-15H,2-4,12-13H2,1H3,(H,24,27).
What are the key properties of 4-(2-methylsulfanylimidazol-1-yl)-N-(6-piperidin-1-yl-3-pyridinyl)benzamide?
4-(2-methylsulfanylimidazol-1-yl)-N-(6-piperidin-1-yl-3-pyridinyl)benzamide has a molecular weight of 393.52 g/mol, XLogP of 4.23, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylsulfanylimidazol-1-yl)-N-(6-piperidin-1-yl-3-pyridinyl)benzamide is sourced from PubChem (CID 47045704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).