N-[6-[2-[[2-(dimethylamino)phenyl]methylsulfinyl]imidazol-1-yl]-3-pyridinyl]acetamide

C19H21N5O2S — CID 10833852

IUPACN-[6-[2-[[2-(dimethylamino)phenyl]methylsulfinyl]imidazol-1-yl]-3-pyridinyl]acetamide
SMILESCC(=O)Nc1ccc(-n2ccnc2S(=O)Cc2ccccc2N(C)C)nc1
InChIInChI=1S/C19H21N5O2S/c1-14(25)22-16-8-9-18(21-12-16)24-11-10-20-19(24)27(26)13-15-6-4-5-7-17(15)23(2)3/h4-12H,13H2,1-3H3,(H,22,25)
InChIKeyZNNNROZVKDIUCN-UHFFFAOYSA-N
MW383.48 g/mol
LogP2.60
Rot. Bonds6

About N-[6-[2-[[2-(dimethylamino)phenyl]methylsulfinyl]imidazol-1-yl]-3-pyridinyl]acetamide

N-[6-[2-[[2-(dimethylamino)phenyl]methylsulfinyl]imidazol-1-yl]-3-pyridinyl]acetamide (PubChem CID 10833852) has the molecular formula C19H21N5O2S and a molecular weight of 383.48 g/mol. Its IUPAC name is N-[6-[2-[[2-(dimethylamino)phenyl]methylsulfinyl]imidazol-1-yl]-3-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[6-[2-[[2-(dimethylamino)phenyl]methylsulfinyl]imidazol-1-yl]-3-pyridinyl]acetamide
PubChem CID10833852
Molecular FormulaC19H21N5O2S
Molecular Weight383.48 g/mol
Exact Mass383.14
IUPAC NameN-[6-[2-[[2-(dimethylamino)phenyl]methylsulfinyl]imidazol-1-yl]-3-pyridinyl]acetamide
SMILESCC(=O)Nc1ccc(-n2ccnc2S(=O)Cc2ccccc2N(C)C)nc1
InChIInChI=1S/C19H21N5O2S/c1-14(25)22-16-8-9-18(21-12-16)24-11-10-20-19(24)27(26)13-15-6-4-5-7-17(15)23(2)3/h4-12H,13H2,1-3H3,(H,22,25)
InChIKeyZNNNROZVKDIUCN-UHFFFAOYSA-N
XLogP2.60
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.48
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[6-[2-[[2-(dimethylamino)phenyl]methylsulfinyl]imidazol-1-yl]-3-pyridinyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[6-[2-[[2-(dimethylamino)phenyl]methylsulfinyl]imidazol-1-yl]-3-pyridinyl]acetamide?
The IUPAC name of N-[6-[2-[[2-(dimethylamino)phenyl]methylsulfinyl]imidazol-1-yl]-3-pyridinyl]acetamide (CID 10833852) is N-[6-[2-[[2-(dimethylamino)phenyl]methylsulfinyl]imidazol-1-yl]-3-pyridinyl]acetamide.
What is the SMILES notation for N-[6-[2-[[2-(dimethylamino)phenyl]methylsulfinyl]imidazol-1-yl]-3-pyridinyl]acetamide?
The canonical SMILES for N-[6-[2-[[2-(dimethylamino)phenyl]methylsulfinyl]imidazol-1-yl]-3-pyridinyl]acetamide is CC(=O)Nc1ccc(-n2ccnc2S(=O)Cc2ccccc2N(C)C)nc1.
What is the InChIKey of N-[6-[2-[[2-(dimethylamino)phenyl]methylsulfinyl]imidazol-1-yl]-3-pyridinyl]acetamide?
The InChIKey is ZNNNROZVKDIUCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2S/c1-14(25)22-16-8-9-18(21-12-16)24-11-10-20-19(24)27(26)13-15-6-4-5-7-17(15)23(2)3/h4-12H,13H2,1-3H3,(H,22,25).
What are the key properties of N-[6-[2-[[2-(dimethylamino)phenyl]methylsulfinyl]imidazol-1-yl]-3-pyridinyl]acetamide?
N-[6-[2-[[2-(dimethylamino)phenyl]methylsulfinyl]imidazol-1-yl]-3-pyridinyl]acetamide has a molecular weight of 383.48 g/mol, XLogP of 2.60, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[2-[[2-(dimethylamino)phenyl]methylsulfinyl]imidazol-1-yl]-3-pyridinyl]acetamide is sourced from PubChem (CID 10833852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).