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

C18H15N5O2S — CID 58739995

IUPAC2-[[6-amino-3,5-dicyano-4-(4-prop-2-enoxyphenyl)-2-pyridinyl]sulfanyl]acetamide
SMILESC=CCOc1ccc(-c2c(C#N)c(N)nc(SCC(N)=O)c2C#N)cc1
InChIInChI=1S/C18H15N5O2S/c1-2-7-25-12-5-3-11(4-6-12)16-13(8-19)17(22)23-18(14(16)9-20)26-10-15(21)24/h2-6H,1,7,10H2,(H2,21,24)(H2,22,23)
InChIKeyLELDLNVPLOJJKK-UHFFFAOYSA-N
MW365.42 g/mol
LogP2.22
Rot. Bonds7

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

2-[[6-amino-3,5-dicyano-4-(4-prop-2-enoxyphenyl)-2-pyridinyl]sulfanyl]acetamide (PubChem CID 58739995) has the molecular formula C18H15N5O2S and a molecular weight of 365.42 g/mol. Its IUPAC name is 2-[[6-amino-3,5-dicyano-4-(4-prop-2-enoxyphenyl)-2-pyridinyl]sulfanyl]acetamide.

Molecular Properties

Compound Name2-[[6-amino-3,5-dicyano-4-(4-prop-2-enoxyphenyl)-2-pyridinyl]sulfanyl]acetamide
PubChem CID58739995
Molecular FormulaC18H15N5O2S
Molecular Weight365.42 g/mol
Exact Mass365.09
IUPAC Name2-[[6-amino-3,5-dicyano-4-(4-prop-2-enoxyphenyl)-2-pyridinyl]sulfanyl]acetamide
SMILESC=CCOc1ccc(-c2c(C#N)c(N)nc(SCC(N)=O)c2C#N)cc1
InChIInChI=1S/C18H15N5O2S/c1-2-7-25-12-5-3-11(4-6-12)16-13(8-19)17(22)23-18(14(16)9-20)26-10-15(21)24/h2-6H,1,7,10H2,(H2,21,24)(H2,22,23)
InChIKeyLELDLNVPLOJJKK-UHFFFAOYSA-N
XLogP2.22
TPSA138.81 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.42
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[6-amino-3,5-dicyano-4-(4-prop-2-enoxyphenyl)-2-pyridinyl]sulfanyl]acetamide?
The IUPAC name of 2-[[6-amino-3,5-dicyano-4-(4-prop-2-enoxyphenyl)-2-pyridinyl]sulfanyl]acetamide (CID 58739995) is 2-[[6-amino-3,5-dicyano-4-(4-prop-2-enoxyphenyl)-2-pyridinyl]sulfanyl]acetamide.
What is the SMILES notation for 2-[[6-amino-3,5-dicyano-4-(4-prop-2-enoxyphenyl)-2-pyridinyl]sulfanyl]acetamide?
The canonical SMILES for 2-[[6-amino-3,5-dicyano-4-(4-prop-2-enoxyphenyl)-2-pyridinyl]sulfanyl]acetamide is C=CCOc1ccc(-c2c(C#N)c(N)nc(SCC(N)=O)c2C#N)cc1.
What is the InChIKey of 2-[[6-amino-3,5-dicyano-4-(4-prop-2-enoxyphenyl)-2-pyridinyl]sulfanyl]acetamide?
The InChIKey is LELDLNVPLOJJKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O2S/c1-2-7-25-12-5-3-11(4-6-12)16-13(8-19)17(22)23-18(14(16)9-20)26-10-15(21)24/h2-6H,1,7,10H2,(H2,21,24)(H2,22,23).
What are the key properties of 2-[[6-amino-3,5-dicyano-4-(4-prop-2-enoxyphenyl)-2-pyridinyl]sulfanyl]acetamide?
2-[[6-amino-3,5-dicyano-4-(4-prop-2-enoxyphenyl)-2-pyridinyl]sulfanyl]acetamide has a molecular weight of 365.42 g/mol, XLogP of 2.22, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-amino-3,5-dicyano-4-(4-prop-2-enoxyphenyl)-2-pyridinyl]sulfanyl]acetamide is sourced from PubChem (CID 58739995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).