N-[4-[3,5-dicyano-2-(ethylamino)-6-(2-hydroxyethylsulfanyl)-4-pyridinyl]phenyl]acetamide

C19H19N5O2S — CID 58670186

IUPACN-[4-[3,5-dicyano-2-(ethylamino)-6-(2-hydroxyethylsulfanyl)-4-pyridinyl]phenyl]acetamide
SMILESCCNc1nc(SCCO)c(C#N)c(-c2ccc(NC(C)=O)cc2)c1C#N
InChIInChI=1S/C19H19N5O2S/c1-3-22-18-15(10-20)17(16(11-21)19(24-18)27-9-8-25)13-4-6-14(7-5-13)23-12(2)26/h4-7,25H,3,8-9H2,1-2H3,(H,22,24)(H,23,26)
InChIKeyRPBWOFOYGKMCTP-UHFFFAOYSA-N
MW381.46 g/mol
LogP2.97
Rot. Bonds7

About N-[4-[3,5-dicyano-2-(ethylamino)-6-(2-hydroxyethylsulfanyl)-4-pyridinyl]phenyl]acetamide

N-[4-[3,5-dicyano-2-(ethylamino)-6-(2-hydroxyethylsulfanyl)-4-pyridinyl]phenyl]acetamide (PubChem CID 58670186) has the molecular formula C19H19N5O2S and a molecular weight of 381.46 g/mol. Its IUPAC name is N-[4-[3,5-dicyano-2-(ethylamino)-6-(2-hydroxyethylsulfanyl)-4-pyridinyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[3,5-dicyano-2-(ethylamino)-6-(2-hydroxyethylsulfanyl)-4-pyridinyl]phenyl]acetamide
PubChem CID58670186
Molecular FormulaC19H19N5O2S
Molecular Weight381.46 g/mol
Exact Mass381.13
IUPAC NameN-[4-[3,5-dicyano-2-(ethylamino)-6-(2-hydroxyethylsulfanyl)-4-pyridinyl]phenyl]acetamide
SMILESCCNc1nc(SCCO)c(C#N)c(-c2ccc(NC(C)=O)cc2)c1C#N
InChIInChI=1S/C19H19N5O2S/c1-3-22-18-15(10-20)17(16(11-21)19(24-18)27-9-8-25)13-4-6-14(7-5-13)23-12(2)26/h4-7,25H,3,8-9H2,1-2H3,(H,22,24)(H,23,26)
InChIKeyRPBWOFOYGKMCTP-UHFFFAOYSA-N
XLogP2.97
TPSA121.83 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.46
LogP ≤ 52.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-[3,5-dicyano-2-(ethylamino)-6-(2-hydroxyethylsulfanyl)-4-pyridinyl]phenyl]acetamide?
The IUPAC name of N-[4-[3,5-dicyano-2-(ethylamino)-6-(2-hydroxyethylsulfanyl)-4-pyridinyl]phenyl]acetamide (CID 58670186) is N-[4-[3,5-dicyano-2-(ethylamino)-6-(2-hydroxyethylsulfanyl)-4-pyridinyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[3,5-dicyano-2-(ethylamino)-6-(2-hydroxyethylsulfanyl)-4-pyridinyl]phenyl]acetamide?
The canonical SMILES for N-[4-[3,5-dicyano-2-(ethylamino)-6-(2-hydroxyethylsulfanyl)-4-pyridinyl]phenyl]acetamide is CCNc1nc(SCCO)c(C#N)c(-c2ccc(NC(C)=O)cc2)c1C#N.
What is the InChIKey of N-[4-[3,5-dicyano-2-(ethylamino)-6-(2-hydroxyethylsulfanyl)-4-pyridinyl]phenyl]acetamide?
The InChIKey is RPBWOFOYGKMCTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O2S/c1-3-22-18-15(10-20)17(16(11-21)19(24-18)27-9-8-25)13-4-6-14(7-5-13)23-12(2)26/h4-7,25H,3,8-9H2,1-2H3,(H,22,24)(H,23,26).
What are the key properties of N-[4-[3,5-dicyano-2-(ethylamino)-6-(2-hydroxyethylsulfanyl)-4-pyridinyl]phenyl]acetamide?
N-[4-[3,5-dicyano-2-(ethylamino)-6-(2-hydroxyethylsulfanyl)-4-pyridinyl]phenyl]acetamide has a molecular weight of 381.46 g/mol, XLogP of 2.97, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3,5-dicyano-2-(ethylamino)-6-(2-hydroxyethylsulfanyl)-4-pyridinyl]phenyl]acetamide is sourced from PubChem (CID 58670186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).