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'}

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Related Compounds

2-(furan-3-ylmethylsulfanyl)-N-[2-hydroxy-4-[4-(1,2,3,6-tetrahydropyridin-2-ylmethyl)-2-pyridinyl]but-2-enyl]acetamide
CID 70357676
N-[4-[4-(azepan-2-ylmethyl)-2-pyridinyl]-2-hydroxybut-2-enyl]-2-(furan-3-ylmethylsulfanyl)acetamide
CID 67867170
2-(furan-2-ylmethylsulfanyl)-N-[(Z)-2-hydroxy-4-[4-(piperidin-1-ylmethyl)-2-pyridinyl]but-2-enyl]acetamide
CID 19963688
2-(furan-3-ylmethylsulfonyl)-N-[(Z)-2-hydroxy-4-[4-(piperidin-1-ylmethyl)-2-pyridinyl]but-2-enyl]acetamide
CID 22154787
2-(furan-3-ylmethylsulfonyl)-N-[(Z)-2-hydroxy-4-[4-(thiomorpholin-4-ylmethyl)-2-pyridinyl]but-2-enyl]acetamide
CID 22154764
2-(2-aminoethylsulfanyl)-N-[(Z)-2-hydroxy-4-[4-(piperidin-1-ylmethyl)-2-pyridinyl]but-2-enyl]acetamide
CID 18915901
2-(furan-2-ylmethylsulfanyl)-N-[2-hydroxy-4-[4-[(3-methylpiperidin-1-yl)methyl]-2-pyridinyl]but-2-enyl]acetamide
CID 67867190
2-(furan-3-ylmethylsulfanyl)-N-[2-hydroxy-4-[4-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]butyl]acetamide
CID 22154751
2-benzylsulfanyl-N-[(2R)-1-(furan-3-yl)propan-2-yl]acetamide
CID 99873167
N-(furan-3-ylmethyl)-3-hydroxy-N-methylpyridine-2-carboxamide
CID 61422868
(Z)-1-[(4-amino-1-oxido-1,2,5-thiadiazol-1-ium-3-ylidene)amino]-4-[4-[(dimethylamino)methyl]-2-pyridinyl]but-2-en-2-ol
CID 173361549
2-[(2-benzylsulfanylacetyl)amino]-N-ethylacetamide
CID 9289997

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).