2-[[6-amino-4-(4-butoxyphenyl)-3,5-dicyano-2-pyridinyl]sulfanyl]acetamide

C19H19N5O2S — CID 658006

IUPAC2-[[6-amino-4-(4-butoxyphenyl)-3,5-dicyano-2-pyridinyl]sulfanyl]acetamide
SMILESCCCCOc1ccc(-c2c(C#N)c(N)nc(SCC(N)=O)c2C#N)cc1
InChIInChI=1S/C19H19N5O2S/c1-2-3-8-26-13-6-4-12(5-7-13)17-14(9-20)18(23)24-19(15(17)10-21)27-11-16(22)25/h4-7H,2-3,8,11H2,1H3,(H2,22,25)(H2,23,24)
InChIKeyJWHUPMGSVKBJGC-UHFFFAOYSA-N
MW381.46 g/mol
LogP2.83
Rot. Bonds8

About 2-[[6-amino-4-(4-butoxyphenyl)-3,5-dicyano-2-pyridinyl]sulfanyl]acetamide

2-[[6-amino-4-(4-butoxyphenyl)-3,5-dicyano-2-pyridinyl]sulfanyl]acetamide (PubChem CID 658006) has the molecular formula C19H19N5O2S and a molecular weight of 381.46 g/mol. Its IUPAC name is 2-[[6-amino-4-(4-butoxyphenyl)-3,5-dicyano-2-pyridinyl]sulfanyl]acetamide.

Molecular Properties

Compound Name2-[[6-amino-4-(4-butoxyphenyl)-3,5-dicyano-2-pyridinyl]sulfanyl]acetamide
PubChem CID658006
Molecular FormulaC19H19N5O2S
Molecular Weight381.46 g/mol
Exact Mass381.13
IUPAC Name2-[[6-amino-4-(4-butoxyphenyl)-3,5-dicyano-2-pyridinyl]sulfanyl]acetamide
SMILESCCCCOc1ccc(-c2c(C#N)c(N)nc(SCC(N)=O)c2C#N)cc1
InChIInChI=1S/C19H19N5O2S/c1-2-3-8-26-13-6-4-12(5-7-13)17-14(9-20)18(23)24-19(15(17)10-21)27-11-16(22)25/h4-7H,2-3,8,11H2,1H3,(H2,22,25)(H2,23,24)
InChIKeyJWHUPMGSVKBJGC-UHFFFAOYSA-N
XLogP2.83
TPSA138.81 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.46
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-((6-Amino-3,5-dicyano-4-(4-(cyclopropylmethoxy)phenyl)-2-pyridinyl)thio)acetamide
CID 11717831
Luf5831
CID 135494270
2-(6-Amino-3,5-dicyano-pyridin-2-ylsulfanyl)-N-(4-methoxy-phenyl)-acetamide
CID 3116122
2-[(6-amino-3,5-dicyano-2-pyridinyl)sulfanyl]-N-(2-methoxyphenyl)acetamide
CID 3116123
2-Amino-4-(furan-2-yl)-6-phenacylsulfanylpyridine-3,5-dicarbonitrile
CID 571407
2-((6-Amino-3,5-dicyano-4-(furan-2-yl)pyridin-2-yl)thio)acetamide
CID 1899510
2-Amino-6-(2-hydroxy-ethylsulfanyl)-4-(4-methoxy-phenyl)-pyridine-3,5-dicarbonitrile
CID 11255849
2-[[6-Amino-3,5-dicyano-4-(4-prop-2-enoxyphenyl)-2-pyridinyl]sulfanyl]acetamide
CID 58739995
2-[[6-amino-3,5-dicyano-4-[4-(cyclopropylmethoxy)phenyl]-2-pyridinyl]sulfanyl]-N-methylacetamide
CID 89534951
2-[[6-Amino-3,5-dicyano-4-[4-(2-methylpropoxy)phenyl]-2-pyridinyl]sulfanyl]acetamide
CID 143294251
[6-Amino-3,5-dicyano-4-(4-hydroxy-phenyl)-pyridin-2-ylsulfanyl]-acetic acid methyl ester
CID 1830648
2-Amino-6-(4-chlorophenyl)sulfanyl-4-(4-methoxyphenyl)pyridine-3,5-dicarbonitrile
CID 2818996

Frequently Asked Questions

What is the IUPAC name of 2-[[6-amino-4-(4-butoxyphenyl)-3,5-dicyano-2-pyridinyl]sulfanyl]acetamide?
The IUPAC name of 2-[[6-amino-4-(4-butoxyphenyl)-3,5-dicyano-2-pyridinyl]sulfanyl]acetamide (CID 658006) is 2-[[6-amino-4-(4-butoxyphenyl)-3,5-dicyano-2-pyridinyl]sulfanyl]acetamide.
What is the SMILES notation for 2-[[6-amino-4-(4-butoxyphenyl)-3,5-dicyano-2-pyridinyl]sulfanyl]acetamide?
The canonical SMILES for 2-[[6-amino-4-(4-butoxyphenyl)-3,5-dicyano-2-pyridinyl]sulfanyl]acetamide is CCCCOc1ccc(-c2c(C#N)c(N)nc(SCC(N)=O)c2C#N)cc1.
What is the InChIKey of 2-[[6-amino-4-(4-butoxyphenyl)-3,5-dicyano-2-pyridinyl]sulfanyl]acetamide?
The InChIKey is JWHUPMGSVKBJGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O2S/c1-2-3-8-26-13-6-4-12(5-7-13)17-14(9-20)18(23)24-19(15(17)10-21)27-11-16(22)25/h4-7H,2-3,8,11H2,1H3,(H2,22,25)(H2,23,24).
What are the key properties of 2-[[6-amino-4-(4-butoxyphenyl)-3,5-dicyano-2-pyridinyl]sulfanyl]acetamide?
2-[[6-amino-4-(4-butoxyphenyl)-3,5-dicyano-2-pyridinyl]sulfanyl]acetamide has a molecular weight of 381.46 g/mol, XLogP of 2.83, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-amino-4-(4-butoxyphenyl)-3,5-dicyano-2-pyridinyl]sulfanyl]acetamide is sourced from PubChem (CID 658006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).