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

C17H13ClN6OS — CID 19057984

IUPAC2-[(6-amino-3,5-dicyano-4-cyclopropyl-2-pyridinyl)sulfanyl]-N-(5-chloro-2-pyridinyl)acetamide
SMILESN#Cc1c(N)nc(SCC(=O)Nc2ccc(Cl)cn2)c(C#N)c1C1CC1
InChIInChI=1S/C17H13ClN6OS/c18-10-3-4-13(22-7-10)23-14(25)8-26-17-12(6-20)15(9-1-2-9)11(5-19)16(21)24-17/h3-4,7,9H,1-2,8H2,(H2,21,24)(H,22,23,25)
InChIKeyNCERCCAZAVGZJY-UHFFFAOYSA-N
MW384.85 g/mol
LogP3.06
Rot. Bonds5

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

2-[(6-amino-3,5-dicyano-4-cyclopropyl-2-pyridinyl)sulfanyl]-N-(5-chloro-2-pyridinyl)acetamide (PubChem CID 19057984) has the molecular formula C17H13ClN6OS and a molecular weight of 384.85 g/mol. Its IUPAC name is 2-[(6-amino-3,5-dicyano-4-cyclopropyl-2-pyridinyl)sulfanyl]-N-(5-chloro-2-pyridinyl)acetamide.

Molecular Properties

Compound Name2-[(6-amino-3,5-dicyano-4-cyclopropyl-2-pyridinyl)sulfanyl]-N-(5-chloro-2-pyridinyl)acetamide
PubChem CID19057984
Molecular FormulaC17H13ClN6OS
Molecular Weight384.85 g/mol
Exact Mass384.06
IUPAC Name2-[(6-amino-3,5-dicyano-4-cyclopropyl-2-pyridinyl)sulfanyl]-N-(5-chloro-2-pyridinyl)acetamide
SMILESN#Cc1c(N)nc(SCC(=O)Nc2ccc(Cl)cn2)c(C#N)c1C1CC1
InChIInChI=1S/C17H13ClN6OS/c18-10-3-4-13(22-7-10)23-14(25)8-26-17-12(6-20)15(9-1-2-9)11(5-19)16(21)24-17/h3-4,7,9H,1-2,8H2,(H2,21,24)(H,22,23,25)
InChIKeyNCERCCAZAVGZJY-UHFFFAOYSA-N
XLogP3.06
TPSA128.48 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.85
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-amino-3,5-dicyano-4-cyclopropyl-2-pyridinyl)sulfanyl]-N-(5-chloro-2-pyridinyl)acetamide?
The IUPAC name of 2-[(6-amino-3,5-dicyano-4-cyclopropyl-2-pyridinyl)sulfanyl]-N-(5-chloro-2-pyridinyl)acetamide (CID 19057984) is 2-[(6-amino-3,5-dicyano-4-cyclopropyl-2-pyridinyl)sulfanyl]-N-(5-chloro-2-pyridinyl)acetamide.
What is the SMILES notation for 2-[(6-amino-3,5-dicyano-4-cyclopropyl-2-pyridinyl)sulfanyl]-N-(5-chloro-2-pyridinyl)acetamide?
The canonical SMILES for 2-[(6-amino-3,5-dicyano-4-cyclopropyl-2-pyridinyl)sulfanyl]-N-(5-chloro-2-pyridinyl)acetamide is N#Cc1c(N)nc(SCC(=O)Nc2ccc(Cl)cn2)c(C#N)c1C1CC1.
What is the InChIKey of 2-[(6-amino-3,5-dicyano-4-cyclopropyl-2-pyridinyl)sulfanyl]-N-(5-chloro-2-pyridinyl)acetamide?
The InChIKey is NCERCCAZAVGZJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN6OS/c18-10-3-4-13(22-7-10)23-14(25)8-26-17-12(6-20)15(9-1-2-9)11(5-19)16(21)24-17/h3-4,7,9H,1-2,8H2,(H2,21,24)(H,22,23,25).
What are the key properties of 2-[(6-amino-3,5-dicyano-4-cyclopropyl-2-pyridinyl)sulfanyl]-N-(5-chloro-2-pyridinyl)acetamide?
2-[(6-amino-3,5-dicyano-4-cyclopropyl-2-pyridinyl)sulfanyl]-N-(5-chloro-2-pyridinyl)acetamide has a molecular weight of 384.85 g/mol, XLogP of 3.06, 5 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-cyclopropyl-2-pyridinyl)sulfanyl]-N-(5-chloro-2-pyridinyl)acetamide is sourced from PubChem (CID 19057984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).