N-[(Z)-4-[4-[(dimethylamino)methyl]-2-pyridinyl]-2-hydroxybut-2-enyl]-2-(furan-3-ylmethylsulfanyl)acetamide

C19H25N3O3S — CID 22154746

IUPACN-[(Z)-4-[4-[(dimethylamino)methyl]-2-pyridinyl]-2-hydroxybut-2-enyl]-2-(furan-3-ylmethylsulfanyl)acetamide
SMILESCN(C)Cc1ccnc(C/C=C(\O)CNC(=O)CSCc2ccoc2)c1
InChIInChI=1S/C19H25N3O3S/c1-22(2)11-15-5-7-20-17(9-15)3-4-18(23)10-21-19(24)14-26-13-16-6-8-25-12-16/h4-9,12,23H,3,10-11,13-14H2,1-2H3,(H,21,24)/b18-4-
InChIKeyJNRBIHUSIVTPRS-LMXLVEHLSA-N
MW375.49 g/mol
LogP2.77
Rot. Bonds10

About N-[(Z)-4-[4-[(dimethylamino)methyl]-2-pyridinyl]-2-hydroxybut-2-enyl]-2-(furan-3-ylmethylsulfanyl)acetamide

N-[(Z)-4-[4-[(dimethylamino)methyl]-2-pyridinyl]-2-hydroxybut-2-enyl]-2-(furan-3-ylmethylsulfanyl)acetamide (PubChem CID 22154746) has the molecular formula C19H25N3O3S and a molecular weight of 375.49 g/mol. Its IUPAC name is N-[(Z)-4-[4-[(dimethylamino)methyl]-2-pyridinyl]-2-hydroxybut-2-enyl]-2-(furan-3-ylmethylsulfanyl)acetamide.

Molecular Properties

Compound NameN-[(Z)-4-[4-[(dimethylamino)methyl]-2-pyridinyl]-2-hydroxybut-2-enyl]-2-(furan-3-ylmethylsulfanyl)acetamide
PubChem CID22154746
Molecular FormulaC19H25N3O3S
Molecular Weight375.49 g/mol
Exact Mass375.16
IUPAC NameN-[(Z)-4-[4-[(dimethylamino)methyl]-2-pyridinyl]-2-hydroxybut-2-enyl]-2-(furan-3-ylmethylsulfanyl)acetamide
SMILESCN(C)Cc1ccnc(C/C=C(\O)CNC(=O)CSCc2ccoc2)c1
InChIInChI=1S/C19H25N3O3S/c1-22(2)11-15-5-7-20-17(9-15)3-4-18(23)10-21-19(24)14-26-13-16-6-8-25-12-16/h4-9,12,23H,3,10-11,13-14H2,1-2H3,(H,21,24)/b18-4-
InChIKeyJNRBIHUSIVTPRS-LMXLVEHLSA-N
XLogP2.77
TPSA78.60 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.49
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze N-[(Z)-4-[4-[(dimethylamino)methyl]-2-pyridinyl]-2-hydroxybut-2-enyl]-2-(furan-3-ylmethylsulfanyl)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-[(Z)-4-[4-[(dimethylamino)methyl]-2-pyridinyl]-2-hydroxybut-2-enyl]-2-(furan-3-ylmethylsulfanyl)acetamide?
The IUPAC name of N-[(Z)-4-[4-[(dimethylamino)methyl]-2-pyridinyl]-2-hydroxybut-2-enyl]-2-(furan-3-ylmethylsulfanyl)acetamide (CID 22154746) is N-[(Z)-4-[4-[(dimethylamino)methyl]-2-pyridinyl]-2-hydroxybut-2-enyl]-2-(furan-3-ylmethylsulfanyl)acetamide.
What is the SMILES notation for N-[(Z)-4-[4-[(dimethylamino)methyl]-2-pyridinyl]-2-hydroxybut-2-enyl]-2-(furan-3-ylmethylsulfanyl)acetamide?
The canonical SMILES for N-[(Z)-4-[4-[(dimethylamino)methyl]-2-pyridinyl]-2-hydroxybut-2-enyl]-2-(furan-3-ylmethylsulfanyl)acetamide is CN(C)Cc1ccnc(C/C=C(\O)CNC(=O)CSCc2ccoc2)c1.
What is the InChIKey of N-[(Z)-4-[4-[(dimethylamino)methyl]-2-pyridinyl]-2-hydroxybut-2-enyl]-2-(furan-3-ylmethylsulfanyl)acetamide?
The InChIKey is JNRBIHUSIVTPRS-LMXLVEHLSA-N. The full InChI is InChI=1S/C19H25N3O3S/c1-22(2)11-15-5-7-20-17(9-15)3-4-18(23)10-21-19(24)14-26-13-16-6-8-25-12-16/h4-9,12,23H,3,10-11,13-14H2,1-2H3,(H,21,24)/b18-4-.
What are the key properties of N-[(Z)-4-[4-[(dimethylamino)methyl]-2-pyridinyl]-2-hydroxybut-2-enyl]-2-(furan-3-ylmethylsulfanyl)acetamide?
N-[(Z)-4-[4-[(dimethylamino)methyl]-2-pyridinyl]-2-hydroxybut-2-enyl]-2-(furan-3-ylmethylsulfanyl)acetamide has a molecular weight of 375.49 g/mol, XLogP of 2.77, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-4-[4-[(dimethylamino)methyl]-2-pyridinyl]-2-hydroxybut-2-enyl]-2-(furan-3-ylmethylsulfanyl)acetamide is sourced from PubChem (CID 22154746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).