4-[2-amino-3,5-dicyano-6-(2,3-dihydroxypropylsulfanyl)-4-pyridinyl]benzamide

C17H15N5O3S — CID 58740085

IUPAC4-[2-amino-3,5-dicyano-6-(2,3-dihydroxypropylsulfanyl)-4-pyridinyl]benzamide
SMILESN#Cc1c(N)nc(SCC(O)CO)c(C#N)c1-c1ccc(C(N)=O)cc1
InChIInChI=1S/C17H15N5O3S/c18-5-12-14(9-1-3-10(4-2-9)16(21)25)13(6-19)17(22-15(12)20)26-8-11(24)7-23/h1-4,11,23-24H,7-8H2,(H2,20,22)(H2,21,25)
InChIKeyDFIQWAJSWJGOJV-UHFFFAOYSA-N
MW369.41 g/mol
LogP0.62
Rot. Bonds6

About 4-[2-amino-3,5-dicyano-6-(2,3-dihydroxypropylsulfanyl)-4-pyridinyl]benzamide

4-[2-amino-3,5-dicyano-6-(2,3-dihydroxypropylsulfanyl)-4-pyridinyl]benzamide (PubChem CID 58740085) has the molecular formula C17H15N5O3S and a molecular weight of 369.41 g/mol. Its IUPAC name is 4-[2-amino-3,5-dicyano-6-(2,3-dihydroxypropylsulfanyl)-4-pyridinyl]benzamide.

Molecular Properties

Compound Name4-[2-amino-3,5-dicyano-6-(2,3-dihydroxypropylsulfanyl)-4-pyridinyl]benzamide
PubChem CID58740085
Molecular FormulaC17H15N5O3S
Molecular Weight369.41 g/mol
Exact Mass369.09
IUPAC Name4-[2-amino-3,5-dicyano-6-(2,3-dihydroxypropylsulfanyl)-4-pyridinyl]benzamide
SMILESN#Cc1c(N)nc(SCC(O)CO)c(C#N)c1-c1ccc(C(N)=O)cc1
InChIInChI=1S/C17H15N5O3S/c18-5-12-14(9-1-3-10(4-2-9)16(21)25)13(6-19)17(22-15(12)20)26-8-11(24)7-23/h1-4,11,23-24H,7-8H2,(H2,20,22)(H2,21,25)
InChIKeyDFIQWAJSWJGOJV-UHFFFAOYSA-N
XLogP0.62
TPSA170.04 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.41
LogP ≤ 50.62
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[2-amino-3,5-dicyano-6-(2,3-dihydroxypropylsulfanyl)-4-pyridinyl]benzamide?
The IUPAC name of 4-[2-amino-3,5-dicyano-6-(2,3-dihydroxypropylsulfanyl)-4-pyridinyl]benzamide (CID 58740085) is 4-[2-amino-3,5-dicyano-6-(2,3-dihydroxypropylsulfanyl)-4-pyridinyl]benzamide.
What is the SMILES notation for 4-[2-amino-3,5-dicyano-6-(2,3-dihydroxypropylsulfanyl)-4-pyridinyl]benzamide?
The canonical SMILES for 4-[2-amino-3,5-dicyano-6-(2,3-dihydroxypropylsulfanyl)-4-pyridinyl]benzamide is N#Cc1c(N)nc(SCC(O)CO)c(C#N)c1-c1ccc(C(N)=O)cc1.
What is the InChIKey of 4-[2-amino-3,5-dicyano-6-(2,3-dihydroxypropylsulfanyl)-4-pyridinyl]benzamide?
The InChIKey is DFIQWAJSWJGOJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O3S/c18-5-12-14(9-1-3-10(4-2-9)16(21)25)13(6-19)17(22-15(12)20)26-8-11(24)7-23/h1-4,11,23-24H,7-8H2,(H2,20,22)(H2,21,25).
What are the key properties of 4-[2-amino-3,5-dicyano-6-(2,3-dihydroxypropylsulfanyl)-4-pyridinyl]benzamide?
4-[2-amino-3,5-dicyano-6-(2,3-dihydroxypropylsulfanyl)-4-pyridinyl]benzamide has a molecular weight of 369.41 g/mol, XLogP of 0.62, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-amino-3,5-dicyano-6-(2,3-dihydroxypropylsulfanyl)-4-pyridinyl]benzamide is sourced from PubChem (CID 58740085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).